id	sid	tid	token	lemma	pos
cet-5081	1	1	microsoft	microsoft	PROPN
cet-5081	1	2	word	word	PROPN
cet-5081	1	3	476hernandez.docx	476hernandez.docx	NUM
cet-5081	1	4	chemical	chemical	NOUN
cet-5081	1	5	engineering	engineering	NOUN
cet-5081	1	6	transactions	transaction	NOUN
cet-5081	1	7	vol	vol	NOUN
cet-5081	1	8	.	.	PROPN
cet-5081	1	9	43	43	NUM
cet-5081	1	10	,	,	PUNCT
cet-5081	1	11	2015	2015	NUM
cet-5081	1	12	a	a	DET
cet-5081	1	13	publication	publication	NOUN
cet-5081	1	14	of	of	ADP
cet-5081	1	15	the	the	DET
cet-5081	1	16	italian	italian	ADJ
cet-5081	1	17	association	association	NOUN
cet-5081	1	18	of	of	ADP
cet-5081	1	19	chemical	chemical	PROPN
cet-5081	1	20	engineering	engineering	NOUN
cet-5081	1	21	online	online	ADV
cet-5081	1	22	at	at	ADP
cet-5081	1	23	www.aidic.it/cet	www.aidic.it/cet	PROPN
cet-5081	1	24	chief	chief	ADJ
cet-5081	1	25	editors	editor	NOUN
cet-5081	1	26	:	:	PUNCT
cet-5081	1	27	sauro	sauro	PROPN
cet-5081	1	28	pierucci	pierucci	PROPN
cet-5081	1	29	,	,	PUNCT
cet-5081	1	30	jiří	jiří	NOUN
cet-5081	1	31	j.	j.	PROPN
cet-5081	1	32	klemeš	klemeš	PROPN
cet-5081	1	33	copyright	copyright	PROPN
cet-5081	1	34	©	©	PROPN
cet-5081	1	35	2015	2015	NUM
cet-5081	1	36	,	,	PUNCT
cet-5081	1	37	aidic	aidic	ADJ
cet-5081	1	38	servizi	servizi	PROPN
cet-5081	1	39	s.r.l	s.r.l	NOUN
cet-5081	1	40	.	.	PUNCT
cet-5081	1	41	,	,	PUNCT
cet-5081	1	42	isbn	isbn	PROPN
cet-5081	1	43	978	978	NUM
cet-5081	1	44	-	-	SYM
cet-5081	1	45	88	88	NUM
cet-5081	1	46	-	-	PUNCT
cet-5081	1	47	95608	95608	NUM
cet-5081	1	48	-	-	PUNCT
cet-5081	1	49	34	34	NUM
cet-5081	1	50	-	-	SYM
cet-5081	1	51	1	1	NUM
cet-5081	1	52	;	;	PUNCT
cet-5081	1	53	issn	issn	PROPN
cet-5081	1	54	2283	2283	NUM
cet-5081	1	55	-	-	SYM
cet-5081	1	56	9216	9216	NUM
cet-5081	1	57	use	use	NOUN
cet-5081	1	58	of	of	ADP
cet-5081	1	59	cosmo	cosmo	NOUN
cet-5081	1	60	-	-	PUNCT
cet-5081	1	61	sac	sac	NOUN
cet-5081	1	62	to	to	PART
cet-5081	1	63	determine	determine	VERB
cet-5081	1	64	the	the	DET
cet-5081	1	65	activity	activity	NOUN
cet-5081	1	66	coefficient	coefficient	NOUN
cet-5081	1	67	and	and	CCONJ
cet-5081	1	68	predict	predict	VERB
cet-5081	1	69	phase	phase	NOUN
cet-5081	1	70	equilibrium	equilibrium	NOUN
cet-5081	1	71	of	of	ADP
cet-5081	1	72	binary	binary	PROPN
cet-5081	1	73	systems	system	NOUN
cet-5081	1	74	involving	involve	VERB
cet-5081	1	75	methanol	methanol	NOUN
cet-5081	1	76	,	,	PUNCT
cet-5081	1	77	glycerol	glycerol	NOUN
cet-5081	1	78	and	and	CCONJ
cet-5081	1	79	water	water	NOUN
cet-5081	1	80	daniela	daniela	PROPN
cet-5081	1	81	f.	f.	PROPN
cet-5081	1	82	borghia	borghia	PROPN
cet-5081	1	83	,	,	PUNCT
cet-5081	1	84	charlles	charlle	VERB
cet-5081	1	85	r.	r.	PROPN
cet-5081	1	86	a.	a.	PROPN
cet-5081	1	87	abreub	abreub	PROPN
cet-5081	1	88	,	,	PUNCT
cet-5081	1	89	reginaldo	reginaldo	VERB
cet-5081	1	90	guirardello*c	guirardello*c	NUM
cet-5081	1	91	adepartment	adepartment	NOUN
cet-5081	1	92	of	of	ADP
cet-5081	1	93	mathematics	mathematic	NOUN
cet-5081	1	94	,	,	PUNCT
cet-5081	1	95	state	state	NOUN
cet-5081	1	96	university	university	PROPN
cet-5081	1	97	of	of	ADP
cet-5081	1	98	maringá	maringá	PROPN
cet-5081	1	99	(	(	PUNCT
cet-5081	1	100	uem	uem	PROPN
cet-5081	1	101	)	)	PUNCT
cet-5081	1	102	,	,	PUNCT
cet-5081	1	103	av	av	PROPN
cet-5081	1	104	.	.	PUNCT
cet-5081	1	105	colombo	colombo	PROPN
cet-5081	1	106	,	,	PUNCT
cet-5081	1	107	5790	5790	NUM
cet-5081	1	108	,	,	PUNCT
cet-5081	1	109	87020	87020	NUM
cet-5081	1	110	-	-	SYM
cet-5081	1	111	900	900	NUM
cet-5081	1	112	,	,	PUNCT
cet-5081	1	113	maringá	maringá	NOUN
cet-5081	1	114	-	-	PUNCT
cet-5081	1	115	pr	pr	PROPN
cet-5081	1	116	,	,	PUNCT
cet-5081	1	117	brazil	brazil	PROPN
cet-5081	1	118	bschool	bschool	NOUN
cet-5081	1	119	of	of	ADP
cet-5081	1	120	chemistry	chemistry	NOUN
cet-5081	1	121	,	,	PUNCT
cet-5081	1	122	federal	federal	ADJ
cet-5081	1	123	university	university	PROPN
cet-5081	1	124	of	of	ADP
cet-5081	1	125	rio	rio	PROPN
cet-5081	1	126	de	de	PROPN
cet-5081	1	127	janeiro	janeiro	PROPN
cet-5081	1	128	(	(	PUNCT
cet-5081	1	129	ufrj	ufrj	PROPN
cet-5081	1	130	)	)	PUNCT
cet-5081	1	131	,	,	PUNCT
cet-5081	1	132	av	av	PROPN
cet-5081	1	133	.	.	PUNCT
cet-5081	1	134	athos	athos	PROPN
cet-5081	1	135	da	da	PROPN
cet-5081	1	136	silveira	silveira	PROPN
cet-5081	1	137	ramos	ramos	PROPN
cet-5081	1	138	149	149	NUM
cet-5081	1	139	,	,	PUNCT
cet-5081	1	140	21941	21941	NUM
cet-5081	1	141	-	-	SYM
cet-5081	1	142	909	909	NUM
cet-5081	1	143	,	,	PUNCT
cet-5081	1	144	rio	rio	PROPN
cet-5081	1	145	de	de	PROPN
cet-5081	1	146	janeiro	janeiro	PROPN
cet-5081	1	147	-	-	PUNCT
cet-5081	1	148	rj	rj	PROPN
cet-5081	1	149	,	,	PUNCT
cet-5081	1	150	brazil	brazil	PROPN
cet-5081	1	151	cschool	cschool	NOUN
cet-5081	1	152	of	of	ADP
cet-5081	1	153	chemical	chemical	ADJ
cet-5081	1	154	engineering	engineering	NOUN
cet-5081	1	155	,	,	PUNCT
cet-5081	1	156	university	university	PROPN
cet-5081	1	157	of	of	ADP
cet-5081	1	158	campinas	campinas	PROPN
cet-5081	1	159	(	(	PUNCT
cet-5081	1	160	unicamp	unicamp	PROPN
cet-5081	1	161	)	)	PUNCT
cet-5081	1	162	,	,	PUNCT
cet-5081	1	163	av	av	PROPN
cet-5081	1	164	.	.	PUNCT
cet-5081	2	1	albert	albert	PROPN
cet-5081	2	2	einstein	einstein	PROPN
cet-5081	2	3	500	500	NUM
cet-5081	2	4	,	,	PUNCT
cet-5081	2	5	13083	13083	NUM
cet-5081	2	6	-	-	SYM
cet-5081	2	7	852	852	NUM
cet-5081	2	8	,	,	PUNCT
cet-5081	2	9	campinas	campinas	PROPN
cet-5081	2	10	-	-	PUNCT
cet-5081	2	11	sp	sp	NOUN
cet-5081	2	12	,	,	PUNCT
cet-5081	2	13	brazil	brazil	PROPN
cet-5081	2	14	guira@feq.unicamp.br	guira@feq.unicamp.br	VERB
cet-5081	2	15	with	with	ADP
cet-5081	2	16	advances	advance	NOUN
cet-5081	2	17	in	in	ADP
cet-5081	2	18	computational	computational	ADJ
cet-5081	2	19	chemistry	chemistry	NOUN
cet-5081	2	20	,	,	PUNCT
cet-5081	2	21	phase	phase	NOUN
cet-5081	2	22	behavior	behavior	NOUN
cet-5081	2	23	predictions	prediction	NOUN
cet-5081	2	24	without	without	ADP
cet-5081	2	25	any	any	DET
cet-5081	2	26	experimental	experimental	ADJ
cet-5081	2	27	data	datum	NOUN
cet-5081	2	28	are	be	AUX
cet-5081	2	29	becoming	become	VERB
cet-5081	2	30	possible	possible	ADJ
cet-5081	2	31	.	.	PUNCT
cet-5081	3	1	models	model	NOUN
cet-5081	3	2	based	base	VERB
cet-5081	3	3	on	on	ADP
cet-5081	3	4	cosmo	cosmo	PROPN
cet-5081	3	5	(	(	PUNCT
cet-5081	3	6	conductor	conductor	NOUN
cet-5081	3	7	-	-	PUNCT
cet-5081	3	8	like	like	ADJ
cet-5081	3	9	screening	screening	NOUN
cet-5081	3	10	models	model	NOUN
cet-5081	3	11	)	)	PUNCT
cet-5081	3	12	are	be	AUX
cet-5081	3	13	viable	viable	ADJ
cet-5081	3	14	alternatives	alternative	NOUN
cet-5081	3	15	to	to	ADP
cet-5081	3	16	group	group	NOUN
cet-5081	3	17	-	-	PUNCT
cet-5081	3	18	contribution	contribution	NOUN
cet-5081	3	19	methods	method	NOUN
cet-5081	3	20	.	.	PUNCT
cet-5081	4	1	these	these	DET
cet-5081	4	2	methods	method	NOUN
cet-5081	4	3	may	may	AUX
cet-5081	4	4	be	be	AUX
cet-5081	4	5	used	use	VERB
cet-5081	4	6	to	to	PART
cet-5081	4	7	determine	determine	VERB
cet-5081	4	8	the	the	DET
cet-5081	4	9	activity	activity	NOUN
cet-5081	4	10	coefficient	coefficient	NOUN
cet-5081	4	11	of	of	ADP
cet-5081	4	12	the	the	DET
cet-5081	4	13	components	component	NOUN
cet-5081	4	14	in	in	ADP
cet-5081	4	15	any	any	DET
cet-5081	4	16	mixtures	mixture	NOUN
cet-5081	4	17	.	.	PUNCT
cet-5081	5	1	in	in	ADP
cet-5081	5	2	this	this	DET
cet-5081	5	3	paper	paper	NOUN
cet-5081	5	4	,	,	PUNCT
cet-5081	5	5	the	the	DET
cet-5081	5	6	model	model	NOUN
cet-5081	5	7	cosmo	cosmo	PROPN
cet-5081	5	8	-	-	PUNCT
cet-5081	5	9	sac	sac	NOUN
cet-5081	5	10	,	,	PUNCT
cet-5081	5	11	developed	develop	VERB
cet-5081	5	12	by	by	ADP
cet-5081	5	13	lin	lin	PROPN
cet-5081	5	14	and	and	CCONJ
cet-5081	5	15	sandler	sandler	PROPN
cet-5081	5	16	(	(	PUNCT
cet-5081	5	17	2002	2002	NUM
cet-5081	5	18	)	)	PUNCT
cet-5081	5	19	,	,	PUNCT
cet-5081	5	20	was	be	AUX
cet-5081	5	21	used	use	VERB
cet-5081	5	22	to	to	PART
cet-5081	5	23	predict	predict	VERB
cet-5081	5	24	the	the	DET
cet-5081	5	25	activity	activity	NOUN
cet-5081	5	26	coefficients	coefficient	NOUN
cet-5081	5	27	for	for	ADP
cet-5081	5	28	binary	binary	ADJ
cet-5081	5	29	mixtures	mixture	NOUN
cet-5081	5	30	(	(	PUNCT
cet-5081	5	31	methanol	methanol	NOUN
cet-5081	5	32	+	+	CCONJ
cet-5081	5	33	glycerol	glycerol	NOUN
cet-5081	5	34	)	)	PUNCT
cet-5081	5	35	,	,	PUNCT
cet-5081	5	36	(	(	PUNCT
cet-5081	5	37	methanol	methanol	NOUN
cet-5081	5	38	+	+	CCONJ
cet-5081	5	39	water	water	NOUN
cet-5081	5	40	)	)	PUNCT
cet-5081	5	41	and	and	CCONJ
cet-5081	5	42	(	(	PUNCT
cet-5081	5	43	glycerol	glycerol	NOUN
cet-5081	5	44	+	+	NOUN
cet-5081	5	45	water	water	NOUN
cet-5081	5	46	)	)	PUNCT
cet-5081	5	47	.	.	PUNCT
cet-5081	6	1	prior	prior	ADV
cet-5081	6	2	to	to	ADP
cet-5081	6	3	these	these	DET
cet-5081	6	4	calculations	calculation	NOUN
cet-5081	6	5	,	,	PUNCT
cet-5081	6	6	the	the	DET
cet-5081	6	7	software	software	NOUN
cet-5081	6	8	gaussian	gaussian	NOUN
cet-5081	6	9	03	03	NUM
cet-5081	6	10	was	be	AUX
cet-5081	6	11	used	use	VERB
cet-5081	6	12	to	to	PART
cet-5081	6	13	perform	perform	VERB
cet-5081	6	14	the	the	DET
cet-5081	6	15	structure	structure	NOUN
cet-5081	6	16	optimization	optimization	NOUN
cet-5081	6	17	of	of	ADP
cet-5081	6	18	molecules	molecule	NOUN
cet-5081	6	19	of	of	ADP
cet-5081	6	20	water	water	NOUN
cet-5081	6	21	,	,	PUNCT
cet-5081	6	22	methanol	methanol	NOUN
cet-5081	6	23	and	and	CCONJ
cet-5081	6	24	glycerol	glycerol	NOUN
cet-5081	6	25	,	,	PUNCT
cet-5081	6	26	in	in	ADP
cet-5081	6	27	order	order	NOUN
cet-5081	6	28	to	to	PART
cet-5081	6	29	find	find	VERB
cet-5081	6	30	which	which	PRON
cet-5081	6	31	molecule	molecule	NOUN
cet-5081	6	32	conformation	conformation	NOUN
cet-5081	6	33	has	have	VERB
cet-5081	6	34	lower	low	ADJ
cet-5081	6	35	energy	energy	NOUN
cet-5081	6	36	.	.	PUNCT
cet-5081	7	1	then	then	ADV
cet-5081	7	2	,	,	PUNCT
cet-5081	7	3	sigma	sigma	VERB
cet-5081	7	4	profiles	profile	NOUN
cet-5081	7	5	of	of	ADP
cet-5081	7	6	the	the	DET
cet-5081	7	7	components	component	NOUN
cet-5081	7	8	were	be	AUX
cet-5081	7	9	obtained	obtain	VERB
cet-5081	7	10	using	use	VERB
cet-5081	7	11	the	the	DET
cet-5081	7	12	software	software	NOUN
cet-5081	7	13	mopac	mopac	PROPN
cet-5081	7	14	.	.	PUNCT
cet-5081	8	1	data	datum	NOUN
cet-5081	8	2	of	of	ADP
cet-5081	8	3	experimental	experimental	ADJ
cet-5081	8	4	activity	activity	NOUN
cet-5081	8	5	coefficients	coefficient	NOUN
cet-5081	8	6	(	(	PUNCT
cet-5081	8	7	γ	γ	PROPN
cet-5081	8	8	)	)	PUNCT
cet-5081	8	9	obtained	obtain	VERB
cet-5081	8	10	from	from	ADP
cet-5081	8	11	literature	literature	NOUN
cet-5081	8	12	(	(	PUNCT
cet-5081	8	13	soujanya	soujanya	PROPN
cet-5081	8	14	et	et	PROPN
cet-5081	8	15	al	al	PROPN
cet-5081	8	16	.	.	PROPN
cet-5081	8	17	,	,	PUNCT
cet-5081	8	18	2010	2010	NUM
cet-5081	8	19	)	)	PUNCT
cet-5081	8	20	were	be	AUX
cet-5081	8	21	compared	compare	VERB
cet-5081	8	22	with	with	ADP
cet-5081	8	23	calculated	calculate	VERB
cet-5081	8	24	values	value	NOUN
cet-5081	8	25	(	(	PUNCT
cet-5081	8	26	γ	γ	PROPN
cet-5081	8	27	)	)	PUNCT
cet-5081	8	28	by	by	ADP
cet-5081	8	29	two	two	NUM
cet-5081	8	30	different	different	ADJ
cet-5081	8	31	methods	method	NOUN
cet-5081	8	32	.	.	PUNCT
cet-5081	9	1	in	in	ADP
cet-5081	9	2	the	the	DET
cet-5081	9	3	first	first	ADJ
cet-5081	9	4	method	method	NOUN
cet-5081	9	5	,	,	PUNCT
cet-5081	9	6	the	the	DET
cet-5081	9	7	sigma	sigma	PROPN
cet-5081	9	8	profiles	profile	NOUN
cet-5081	9	9	obtained	obtain	VERB
cet-5081	9	10	from	from	ADP
cet-5081	9	11	software	software	NOUN
cet-5081	9	12	mopac	mopac	NOUN
cet-5081	9	13	were	be	AUX
cet-5081	9	14	used	use	VERB
cet-5081	9	15	to	to	PART
cet-5081	9	16	calculate	calculate	VERB
cet-5081	9	17	the	the	DET
cet-5081	9	18	activity	activity	NOUN
cet-5081	9	19	coefficients	coefficient	NOUN
cet-5081	9	20	.	.	PUNCT
cet-5081	10	1	in	in	ADP
cet-5081	10	2	the	the	DET
cet-5081	10	3	second	second	ADJ
cet-5081	10	4	one	one	NOUN
cet-5081	10	5	,	,	PUNCT
cet-5081	10	6	they	they	PRON
cet-5081	10	7	were	be	AUX
cet-5081	10	8	obtained	obtain	VERB
cet-5081	10	9	from	from	ADP
cet-5081	10	10	the	the	DET
cet-5081	10	11	software	software	NOUN
cet-5081	10	12	known	know	VERB
cet-5081	10	13	as	as	ADP
cet-5081	10	14	jcosmo	jcosmo	NOUN
cet-5081	10	15	,	,	PUNCT
cet-5081	10	16	which	which	PRON
cet-5081	10	17	uses	use	VERB
cet-5081	10	18	the	the	DET
cet-5081	10	19	sigma	sigma	PROPN
cet-5081	10	20	profiles	profile	NOUN
cet-5081	10	21	from	from	ADP
cet-5081	10	22	vt-2005	vt-2005	NOUN
cet-5081	10	23	database	database	NOUN
cet-5081	10	24	.	.	PUNCT
cet-5081	11	1	the	the	DET
cet-5081	11	2	mean	mean	ADJ
cet-5081	11	3	absolute	absolute	ADJ
cet-5081	11	4	deviation	deviation	NOUN
cet-5081	11	5	between	between	ADP
cet-5081	11	6	γ	γ	PROPN
cet-5081	11	7	e	e	PROPN
cet-5081	11	8	γ	γ	X
cet-5081	11	9	by	by	ADP
cet-5081	11	10	the	the	DET
cet-5081	11	11	two	two	NUM
cet-5081	11	12	methods	method	NOUN
cet-5081	11	13	analyzed	analyze	VERB
cet-5081	11	14	were	be	AUX
cet-5081	11	15	calculated	calculate	VERB
cet-5081	11	16	.	.	PUNCT
cet-5081	12	1	the	the	DET
cet-5081	12	2	results	result	NOUN
cet-5081	12	3	show	show	VERB
cet-5081	12	4	that	that	SCONJ
cet-5081	12	5	the	the	DET
cet-5081	12	6	method	method	NOUN
cet-5081	12	7	based	base	VERB
cet-5081	12	8	on	on	ADP
cet-5081	12	9	cosmo	cosmo	NOUN
cet-5081	12	10	not	not	PART
cet-5081	12	11	adequately	adequately	ADV
cet-5081	12	12	predicted	predict	VERB
cet-5081	12	13	the	the	DET
cet-5081	12	14	activity	activity	NOUN
cet-5081	12	15	coefficients	coefficient	NOUN
cet-5081	12	16	of	of	ADP
cet-5081	12	17	the	the	DET
cet-5081	12	18	mixtures	mixture	NOUN
cet-5081	12	19	analyzed	analyze	VERB
cet-5081	12	20	for	for	ADP
cet-5081	12	21	both	both	DET
cet-5081	12	22	methods	method	NOUN
cet-5081	12	23	of	of	ADP
cet-5081	12	24	obtaining	obtain	VERB
cet-5081	12	25	the	the	DET
cet-5081	12	26	sigma	sigma	PROPN
cet-5081	12	27	profile	profile	NOUN
cet-5081	12	28	.	.	PUNCT
cet-5081	13	1	despite	despite	SCONJ
cet-5081	13	2	the	the	DET
cet-5081	13	3	sigma	sigma	PROPN
cet-5081	13	4	profiles	profile	NOUN
cet-5081	13	5	generated	generate	VERB
cet-5081	13	6	by	by	ADP
cet-5081	13	7	the	the	DET
cet-5081	13	8	software	software	NOUN
cet-5081	13	9	mopac	mopac	NOUN
cet-5081	13	10	are	be	AUX
cet-5081	13	11	different	different	ADJ
cet-5081	13	12	from	from	ADP
cet-5081	13	13	those	those	PRON
cet-5081	13	14	obtained	obtain	VERB
cet-5081	13	15	by	by	ADP
cet-5081	13	16	vt-2005	vt-2005	NOUN
cet-5081	13	17	database	database	NOUN
cet-5081	13	18	,	,	PUNCT
cet-5081	13	19	the	the	DET
cet-5081	13	20	values	value	NOUN
cet-5081	13	21	of	of	ADP
cet-5081	13	22	the	the	DET
cet-5081	13	23	activity	activity	NOUN
cet-5081	13	24	coefficients	coefficient	NOUN
cet-5081	13	25	obtained	obtain	VERB
cet-5081	13	26	by	by	ADP
cet-5081	13	27	both	both	DET
cet-5081	13	28	methods	method	NOUN
cet-5081	13	29	showed	show	VERB
cet-5081	13	30	no	no	DET
cet-5081	13	31	major	major	ADJ
cet-5081	13	32	deviations	deviation	NOUN
cet-5081	13	33	.	.	PUNCT
cet-5081	14	1	furthermore	furthermore	ADV
cet-5081	14	2	,	,	PUNCT
cet-5081	14	3	cosmo	cosmo	NOUN
cet-5081	14	4	-	-	PUNCT
cet-5081	14	5	sac	sac	NOUN
cet-5081	14	6	model	model	NOUN
cet-5081	14	7	was	be	AUX
cet-5081	14	8	used	use	VERB
cet-5081	14	9	to	to	PART
cet-5081	14	10	calculate	calculate	VERB
cet-5081	14	11	phase	phase	NOUN
cet-5081	14	12	equilibrium	equilibrium	NOUN
cet-5081	14	13	by	by	ADP
cet-5081	14	14	minimizing	minimize	VERB
cet-5081	14	15	the	the	DET
cet-5081	14	16	gibbs	gibbs	PROPN
cet-5081	14	17	energy	energy	NOUN
cet-5081	14	18	of	of	ADP
cet-5081	14	19	the	the	DET
cet-5081	14	20	binary	binary	ADJ
cet-5081	14	21	mixtures	mixture	NOUN
cet-5081	14	22	.	.	PUNCT
cet-5081	15	1	these	these	DET
cet-5081	15	2	calculations	calculation	NOUN
cet-5081	15	3	were	be	AUX
cet-5081	15	4	performed	perform	VERB
cet-5081	15	5	in	in	ADP
cet-5081	15	6	the	the	DET
cet-5081	15	7	software	software	NOUN
cet-5081	15	8	gams	gam	NOUN
cet-5081	15	9	.	.	PUNCT
cet-5081	16	1	it	it	PRON
cet-5081	16	2	was	be	AUX
cet-5081	16	3	found	find	VERB
cet-5081	16	4	that	that	SCONJ
cet-5081	16	5	,	,	PUNCT
cet-5081	16	6	although	although	SCONJ
cet-5081	16	7	promising	promise	VERB
cet-5081	16	8	,	,	PUNCT
cet-5081	16	9	the	the	DET
cet-5081	16	10	cosmo	cosmo	NOUN
cet-5081	16	11	-	-	PUNCT
cet-5081	16	12	sac	sac	NOUN
cet-5081	16	13	model	model	NOUN
cet-5081	16	14	still	still	ADV
cet-5081	16	15	need	need	VERB
cet-5081	16	16	refinements	refinement	NOUN
cet-5081	16	17	.	.	PUNCT
cet-5081	17	1	1	1	X
cet-5081	17	2	.	.	X
cet-5081	17	3	introduction	introduction	NOUN
cet-5081	17	4	predictive	predictive	ADJ
cet-5081	17	5	thermodynamic	thermodynamic	ADJ
cet-5081	17	6	models	model	NOUN
cet-5081	17	7	are	be	AUX
cet-5081	17	8	being	be	AUX
cet-5081	17	9	widely	widely	ADV
cet-5081	17	10	used	use	VERB
cet-5081	17	11	,	,	PUNCT
cet-5081	17	12	despite	despite	SCONJ
cet-5081	17	13	prediction	prediction	NOUN
cet-5081	17	14	inaccuracies	inaccuracy	NOUN
cet-5081	17	15	,	,	PUNCT
cet-5081	17	16	due	due	ADP
cet-5081	17	17	to	to	ADP
cet-5081	17	18	many	many	ADJ
cet-5081	17	19	advantages	advantage	NOUN
cet-5081	17	20	such	such	ADJ
cet-5081	17	21	as	as	ADP
cet-5081	17	22	time	time	NOUN
cet-5081	17	23	and	and	CCONJ
cet-5081	17	24	cost	cost	NOUN
cet-5081	17	25	savings	saving	NOUN
cet-5081	17	26	(	(	PUNCT
cet-5081	17	27	mullins	mullins	PROPN
cet-5081	17	28	et	et	PROPN
cet-5081	17	29	al	al	PROPN
cet-5081	17	30	.	.	PROPN
cet-5081	17	31	,	,	PUNCT
cet-5081	17	32	2008	2008	NUM
cet-5081	17	33	)	)	PUNCT
cet-5081	17	34	.	.	PUNCT
cet-5081	18	1	with	with	ADP
cet-5081	18	2	advances	advance	NOUN
cet-5081	18	3	in	in	ADP
cet-5081	18	4	computational	computational	ADJ
cet-5081	18	5	chemistry	chemistry	NOUN
cet-5081	18	6	,	,	PUNCT
cet-5081	18	7	some	some	DET
cet-5081	18	8	phase	phase	NOUN
cet-5081	18	9	equilibrium	equilibrium	NOUN
cet-5081	18	10	predictions	prediction	NOUN
cet-5081	18	11	of	of	ADP
cet-5081	18	12	mixtures	mixture	NOUN
cet-5081	18	13	,	,	PUNCT
cet-5081	18	14	without	without	ADP
cet-5081	18	15	any	any	DET
cet-5081	18	16	information	information	NOUN
cet-5081	18	17	about	about	ADP
cet-5081	18	18	experimental	experimental	ADJ
cet-5081	18	19	data	datum	NOUN
cet-5081	18	20	,	,	PUNCT
cet-5081	18	21	are	be	AUX
cet-5081	18	22	becoming	become	VERB
cet-5081	18	23	possible	possible	ADJ
cet-5081	18	24	.	.	PUNCT
cet-5081	19	1	although	although	SCONJ
cet-5081	19	2	less	less	ADV
cet-5081	19	3	reliable	reliable	ADJ
cet-5081	19	4	,	,	PUNCT
cet-5081	19	5	quantum	quantum	ADJ
cet-5081	19	6	mechanical	mechanical	ADJ
cet-5081	19	7	methods	method	NOUN
cet-5081	19	8	present	present	VERB
cet-5081	19	9	a	a	DET
cet-5081	19	10	viable	viable	ADJ
cet-5081	19	11	alternative	alternative	NOUN
cet-5081	19	12	to	to	ADP
cet-5081	19	13	classical	classical	ADJ
cet-5081	19	14	group	group	NOUN
cet-5081	19	15	contribution	contribution	NOUN
cet-5081	19	16	estimation	estimation	NOUN
cet-5081	19	17	methods	method	NOUN
cet-5081	19	18	,	,	PUNCT
cet-5081	19	19	to	to	PART
cet-5081	19	20	estimate	estimate	VERB
cet-5081	19	21	the	the	DET
cet-5081	19	22	phase	phase	NOUN
cet-5081	19	23	behavior	behavior	NOUN
cet-5081	19	24	without	without	ADP
cet-5081	19	25	experimental	experimental	ADJ
cet-5081	19	26	data	datum	NOUN
cet-5081	19	27	requirements	requirement	NOUN
cet-5081	19	28	(	(	PUNCT
cet-5081	19	29	wang	wang	PROPN
cet-5081	19	30	et	et	PROPN
cet-5081	19	31	al	al	PROPN
cet-5081	19	32	.	.	PROPN
cet-5081	19	33	,	,	PUNCT
cet-5081	19	34	2009	2009	NUM
cet-5081	19	35	)	)	PUNCT
cet-5081	19	36	.	.	PUNCT
cet-5081	20	1	recently	recently	ADV
cet-5081	20	2	klamt	klamt	X
cet-5081	20	3	(	(	PUNCT
cet-5081	20	4	1995	1995	NUM
cet-5081	20	5	)	)	PUNCT
cet-5081	20	6	proposed	propose	VERB
cet-5081	20	7	a	a	DET
cet-5081	20	8	new	new	ADJ
cet-5081	20	9	approach	approach	NOUN
cet-5081	20	10	to	to	PART
cet-5081	20	11	describe	describe	VERB
cet-5081	20	12	the	the	DET
cet-5081	20	13	dependence	dependence	NOUN
cet-5081	20	14	of	of	ADP
cet-5081	20	15	the	the	DET
cet-5081	20	16	activity	activity	NOUN
cet-5081	20	17	coefficient	coefficient	NOUN
cet-5081	20	18	on	on	ADP
cet-5081	20	19	the	the	DET
cet-5081	20	20	mixture	mixture	NOUN
cet-5081	20	21	composition	composition	NOUN
cet-5081	20	22	and	and	CCONJ
cet-5081	20	23	temperature	temperature	NOUN
cet-5081	20	24	.	.	PUNCT
cet-5081	21	1	the	the	DET
cet-5081	21	2	method	method	NOUN
cet-5081	21	3	,	,	PUNCT
cet-5081	21	4	called	call	VERB
cet-5081	21	5	by	by	ADP
cet-5081	21	6	klamt	klamt	NOUN
cet-5081	21	7	of	of	ADP
cet-5081	21	8	cosmo	cosmo	PROPN
cet-5081	21	9	-	-	PUNCT
cet-5081	21	10	rs	rs	NOUN
cet-5081	21	11	(	(	PUNCT
cet-5081	21	12	conductor	conductor	NOUN
cet-5081	21	13	-	-	PUNCT
cet-5081	21	14	like	like	ADJ
cet-5081	21	15	solvent	solvent	NOUN
cet-5081	21	16	screening	screening	NOUN
cet-5081	21	17	model	model	NOUN
cet-5081	21	18	for	for	ADP
cet-5081	21	19	real	real	ADJ
cet-5081	21	20	)	)	PUNCT
cet-5081	21	21	start	start	VERB
cet-5081	21	22	from	from	ADP
cet-5081	21	23	the	the	DET
cet-5081	21	24	results	result	NOUN
cet-5081	21	25	of	of	ADP
cet-5081	21	26	quantum	quantum	ADJ
cet-5081	21	27	mechanical	mechanical	ADJ
cet-5081	21	28	calculations	calculation	NOUN
cet-5081	21	29	of	of	ADP
cet-5081	21	30	solvation	solvation	NOUN
cet-5081	21	31	and	and	CCONJ
cet-5081	21	32	can	can	AUX
cet-5081	21	33	doi	doi	VERB
cet-5081	21	34	:	:	PUNCT
cet-5081	21	35	10.3303	10.3303	NUM
cet-5081	21	36	/	/	SYM
cet-5081	21	37	cet1543314	cet1543314	NOUN
cet-5081	21	38	please	please	INTJ
cet-5081	21	39	cite	cite	VERB
cet-5081	21	40	this	this	DET
cet-5081	21	41	article	article	NOUN
cet-5081	21	42	as	as	ADP
cet-5081	21	43	:	:	PUNCT
cet-5081	21	44	borghi	borghi	PROPN
cet-5081	21	45	d.	d.	PROPN
cet-5081	21	46	,	,	PUNCT
cet-5081	21	47	abreu	abreu	PROPN
cet-5081	21	48	c.r.a	c.r.a	PROPN
cet-5081	21	49	.	.	PROPN
cet-5081	21	50	,	,	PUNCT
cet-5081	21	51	guirardello	guirardello	PROPN
cet-5081	21	52	r.	r.	PROPN
cet-5081	21	53	,	,	PUNCT
cet-5081	21	54	2015	2015	NUM
cet-5081	21	55	,	,	PUNCT
cet-5081	21	56	use	use	NOUN
cet-5081	21	57	of	of	ADP
cet-5081	21	58	cosmo	cosmo	NOUN
cet-5081	21	59	-	-	PUNCT
cet-5081	21	60	sac	sac	NOUN
cet-5081	21	61	to	to	PART
cet-5081	21	62	determine	determine	VERB
cet-5081	21	63	the	the	DET
cet-5081	21	64	activity	activity	NOUN
cet-5081	21	65	coefficient	coefficient	NOUN
cet-5081	21	66	and	and	CCONJ
cet-5081	21	67	predict	predict	VERB
cet-5081	21	68	phase	phase	NOUN
cet-5081	21	69	equilibrium	equilibrium	NOUN
cet-5081	21	70	of	of	ADP
cet-5081	21	71	binary	binary	PROPN
cet-5081	21	72	systems	system	NOUN
cet-5081	21	73	involving	involve	VERB
cet-5081	21	74	methanol	methanol	NOUN
cet-5081	21	75	,	,	PUNCT
cet-5081	21	76	glycerol	glycerol	NOUN
cet-5081	21	77	and	and	CCONJ
cet-5081	21	78	water	water	NOUN
cet-5081	21	79	,	,	PUNCT
cet-5081	21	80	chemical	chemical	NOUN
cet-5081	21	81	engineering	engineering	NOUN
cet-5081	21	82	transactions	transaction	NOUN
cet-5081	21	83	,	,	PUNCT
cet-5081	21	84	43	43	NUM
cet-5081	21	85	,	,	PUNCT
cet-5081	21	86	1879	1879	NUM
cet-5081	21	87	-	-	SYM
cet-5081	21	88	1884	1884	NUM
cet-5081	21	89	doi	doi	NOUN
cet-5081	21	90	:	:	PUNCT
cet-5081	21	91	10.3303	10.3303	NUM
cet-5081	21	92	/	/	SYM
cet-5081	21	93	cet1543314	cet1543314	NOUN
cet-5081	21	94	1879	1879	NUM
cet-5081	21	95	satisfactorily	satisfactorily	ADV
cet-5081	21	96	describe	describe	VERB
cet-5081	21	97	the	the	DET
cet-5081	21	98	phase	phase	NOUN
cet-5081	21	99	equilibrium	equilibrium	NOUN
cet-5081	21	100	of	of	ADP
cet-5081	21	101	a	a	DET
cet-5081	21	102	mixture	mixture	NOUN
cet-5081	21	103	without	without	ADP
cet-5081	21	104	the	the	DET
cet-5081	21	105	need	need	NOUN
cet-5081	21	106	for	for	ADP
cet-5081	21	107	any	any	DET
cet-5081	21	108	experimental	experimental	ADJ
cet-5081	21	109	data	datum	NOUN
cet-5081	21	110	.	.	PUNCT
cet-5081	22	1	in	in	ADP
cet-5081	22	2	principle	principle	NOUN
cet-5081	22	3	,	,	PUNCT
cet-5081	22	4	this	this	DET
cet-5081	22	5	method	method	NOUN
cet-5081	22	6	can	can	AUX
cet-5081	22	7	be	be	AUX
cet-5081	22	8	used	use	VERB
cet-5081	22	9	to	to	PART
cet-5081	22	10	determine	determine	VERB
cet-5081	22	11	the	the	DET
cet-5081	22	12	activity	activity	NOUN
cet-5081	22	13	coefficient	coefficient	NOUN
cet-5081	22	14	of	of	ADP
cet-5081	22	15	any	any	DET
cet-5081	22	16	substance	substance	NOUN
cet-5081	22	17	in	in	ADP
cet-5081	22	18	any	any	DET
cet-5081	22	19	mixture	mixture	NOUN
cet-5081	22	20	(	(	PUNCT
cet-5081	22	21	yang	yang	PROPN
cet-5081	22	22	et	et	PROPN
cet-5081	22	23	al	al	PROPN
cet-5081	22	24	.	.	PROPN
cet-5081	22	25	2010	2010	NUM
cet-5081	22	26	)	)	PUNCT
cet-5081	22	27	.	.	PUNCT
cet-5081	23	1	later	later	ADV
cet-5081	23	2	,	,	PUNCT
cet-5081	23	3	lin	lin	PROPN
cet-5081	23	4	and	and	CCONJ
cet-5081	23	5	sandler	sandler	PROPN
cet-5081	23	6	(	(	PUNCT
cet-5081	23	7	2002	2002	NUM
cet-5081	23	8	)	)	PUNCT
cet-5081	23	9	developed	develop	VERB
cet-5081	23	10	the	the	DET
cet-5081	23	11	cosmo	cosmo	NOUN
cet-5081	23	12	-	-	PUNCT
cet-5081	23	13	sac	sac	NOUN
cet-5081	23	14	model	model	NOUN
cet-5081	23	15	(	(	PUNCT
cet-5081	23	16	cosmo	cosmo	PROPN
cet-5081	23	17	segment	segment	NOUN
cet-5081	23	18	activity	activity	NOUN
cet-5081	23	19	coefficient	coefficient	NOUN
cet-5081	23	20	)	)	PUNCT
cet-5081	23	21	,	,	PUNCT
cet-5081	23	22	a	a	DET
cet-5081	23	23	variation	variation	NOUN
cet-5081	23	24	of	of	ADP
cet-5081	23	25	the	the	DET
cet-5081	23	26	cosmo	cosmo	NOUN
cet-5081	23	27	-	-	PUNCT
cet-5081	23	28	rs	rs	NOUN
cet-5081	23	29	model	model	NOUN
cet-5081	23	30	.	.	PUNCT
cet-5081	24	1	in	in	ADP
cet-5081	24	2	this	this	DET
cet-5081	24	3	model	model	NOUN
cet-5081	24	4	,	,	PUNCT
cet-5081	24	5	the	the	DET
cet-5081	24	6	authors	author	NOUN
cet-5081	24	7	combined	combine	VERB
cet-5081	24	8	the	the	DET
cet-5081	24	9	cosmo	cosmo	NOUN
cet-5081	24	10	calculations	calculation	NOUN
cet-5081	24	11	with	with	ADP
cet-5081	24	12	the	the	DET
cet-5081	24	13	staverman	staverman	NOUN
cet-5081	24	14	-	-	PUNCT
cet-5081	24	15	guggenheim	guggenheim	PROPN
cet-5081	24	16	equation	equation	NOUN
cet-5081	24	17	to	to	PART
cet-5081	24	18	calculate	calculate	VERB
cet-5081	24	19	the	the	DET
cet-5081	24	20	activity	activity	NOUN
cet-5081	24	21	coefficient	coefficient	NOUN
cet-5081	24	22	.	.	PUNCT
cet-5081	25	1	in	in	ADP
cet-5081	25	2	cosmo	cosmo	NOUN
cet-5081	25	3	-	-	PUNCT
cet-5081	25	4	based	base	VERB
cet-5081	25	5	models	model	NOUN
cet-5081	25	6	,	,	PUNCT
cet-5081	25	7	the	the	DET
cet-5081	25	8	first	first	ADJ
cet-5081	25	9	step	step	NOUN
cet-5081	25	10	to	to	PART
cet-5081	25	11	calculate	calculate	VERB
cet-5081	25	12	the	the	DET
cet-5081	25	13	activity	activity	NOUN
cet-5081	25	14	coefficient	coefficient	NOUN
cet-5081	25	15	is	be	AUX
cet-5081	25	16	to	to	PART
cet-5081	25	17	determine	determine	VERB
cet-5081	25	18	the	the	DET
cet-5081	25	19	“	"	PUNCT
cet-5081	25	20	apparent	apparent	ADJ
cet-5081	25	21	”	"	PUNCT
cet-5081	25	22	charge	charge	NOUN
cet-5081	25	23	density	density	NOUN
cet-5081	25	24	distribution	distribution	NOUN
cet-5081	25	25	on	on	ADP
cet-5081	25	26	the	the	DET
cet-5081	25	27	surface	surface	NOUN
cet-5081	25	28	of	of	ADP
cet-5081	25	29	the	the	DET
cet-5081	25	30	molecule	molecule	NOUN
cet-5081	25	31	in	in	ADP
cet-5081	25	32	a	a	DET
cet-5081	25	33	perfect	perfect	ADJ
cet-5081	25	34	conductor	conductor	NOUN
cet-5081	25	35	.	.	PUNCT
cet-5081	26	1	this	this	DET
cet-5081	26	2	charge	charge	NOUN
cet-5081	26	3	distribution	distribution	NOUN
cet-5081	26	4	is	be	AUX
cet-5081	26	5	called	call	VERB
cet-5081	26	6	sigma	sigma	PROPN
cet-5081	26	7	profile	profile	NOUN
cet-5081	26	8	.	.	PUNCT
cet-5081	27	1	the	the	DET
cet-5081	27	2	sigma	sigma	PROPN
cet-5081	27	3	profile	profile	NOUN
cet-5081	27	4	of	of	ADP
cet-5081	27	5	each	each	DET
cet-5081	27	6	substance	substance	NOUN
cet-5081	27	7	present	present	ADJ
cet-5081	27	8	in	in	ADP
cet-5081	27	9	the	the	DET
cet-5081	27	10	mixture	mixture	NOUN
cet-5081	27	11	must	must	AUX
cet-5081	27	12	be	be	AUX
cet-5081	27	13	obtained	obtain	VERB
cet-5081	27	14	.	.	PUNCT
cet-5081	28	1	these	these	DET
cet-5081	28	2	calculations	calculation	NOUN
cet-5081	28	3	can	can	AUX
cet-5081	28	4	be	be	AUX
cet-5081	28	5	computationally	computationally	ADV
cet-5081	28	6	time	time	NOUN
cet-5081	28	7	-	-	PUNCT
cet-5081	28	8	expensive	expensive	ADJ
cet-5081	28	9	,	,	PUNCT
cet-5081	28	10	depending	depend	VERB
cet-5081	28	11	on	on	ADP
cet-5081	28	12	the	the	DET
cet-5081	28	13	complexity	complexity	NOUN
cet-5081	28	14	of	of	ADP
cet-5081	28	15	the	the	DET
cet-5081	28	16	molecule	molecule	NOUN
cet-5081	28	17	and	and	CCONJ
cet-5081	28	18	on	on	ADP
cet-5081	28	19	the	the	DET
cet-5081	28	20	package	package	NOUN
cet-5081	28	21	of	of	ADP
cet-5081	28	22	quantum	quantum	ADJ
cet-5081	28	23	mechanics	mechanic	NOUN
cet-5081	28	24	used	use	VERB
cet-5081	28	25	.	.	PUNCT
cet-5081	29	1	the	the	DET
cet-5081	29	2	objective	objective	NOUN
cet-5081	29	3	of	of	ADP
cet-5081	29	4	this	this	DET
cet-5081	29	5	work	work	NOUN
cet-5081	29	6	is	be	AUX
cet-5081	29	7	to	to	PART
cet-5081	29	8	calculate	calculate	VERB
cet-5081	29	9	the	the	DET
cet-5081	29	10	phase	phase	NOUN
cet-5081	29	11	equilibrium	equilibrium	NOUN
cet-5081	29	12	of	of	ADP
cet-5081	29	13	binary	binary	ADJ
cet-5081	29	14	mixtures	mixture	NOUN
cet-5081	29	15	containing	contain	VERB
cet-5081	29	16	water	water	NOUN
cet-5081	29	17	,	,	PUNCT
cet-5081	29	18	methanol	methanol	NOUN
cet-5081	29	19	and	and	CCONJ
cet-5081	29	20	glycerol	glycerol	NOUN
cet-5081	29	21	by	by	ADP
cet-5081	29	22	minimizing	minimize	VERB
cet-5081	29	23	the	the	DET
cet-5081	29	24	gibbs	gibbs	PROPN
cet-5081	29	25	energy	energy	NOUN
cet-5081	29	26	,	,	PUNCT
cet-5081	29	27	formulated	formulate	VERB
cet-5081	29	28	as	as	ADP
cet-5081	29	29	a	a	DET
cet-5081	29	30	nonlinear	nonlinear	ADJ
cet-5081	29	31	programming	programming	NOUN
cet-5081	29	32	,	,	PUNCT
cet-5081	29	33	and	and	CCONJ
cet-5081	29	34	using	use	VERB
cet-5081	29	35	the	the	DET
cet-5081	29	36	gams	gam	NOUN
cet-5081	29	37	(	(	PUNCT
cet-5081	29	38	general	general	ADJ
cet-5081	29	39	algebraic	algebraic	ADJ
cet-5081	29	40	system	system	NOUN
cet-5081	29	41	model	model	NOUN
cet-5081	29	42	)	)	PUNCT
cet-5081	29	43	software	software	NOUN
cet-5081	29	44	with	with	ADP
cet-5081	29	45	the	the	DET
cet-5081	29	46	conopt	conopt	PROPN
cet-5081	29	47	solver	solver	NOUN
cet-5081	29	48	.	.	PUNCT
cet-5081	30	1	2	2	X
cet-5081	30	2	.	.	X
cet-5081	30	3	method	method	NOUN
cet-5081	30	4	activity	activity	NOUN
cet-5081	30	5	coefficients	coefficient	NOUN
cet-5081	30	6	used	use	VERB
cet-5081	30	7	in	in	ADP
cet-5081	30	8	this	this	DET
cet-5081	30	9	paper	paper	NOUN
cet-5081	30	10	were	be	AUX
cet-5081	30	11	obtained	obtain	VERB
cet-5081	30	12	using	use	VERB
cet-5081	30	13	the	the	DET
cet-5081	30	14	cosmo	cosmo	NOUN
cet-5081	30	15	-	-	PUNCT
cet-5081	30	16	sac	sac	NOUN
cet-5081	30	17	model	model	NOUN
cet-5081	30	18	.	.	PUNCT
cet-5081	31	1	sigma	sigma	PROPN
cet-5081	31	2	profiles	profile	NOUN
cet-5081	31	3	were	be	AUX
cet-5081	31	4	obtained	obtain	VERB
cet-5081	31	5	by	by	ADP
cet-5081	31	6	a	a	DET
cet-5081	31	7	method	method	NOUN
cet-5081	31	8	using	use	VERB
cet-5081	31	9	the	the	DET
cet-5081	31	10	mopac	mopac	NOUN
cet-5081	31	11	software	software	NOUN
cet-5081	31	12	described	describe	VERB
cet-5081	31	13	by	by	ADP
cet-5081	31	14	borghi	borghi	PROPN
cet-5081	31	15	et	et	PROPN
cet-5081	31	16	al	al	PROPN
cet-5081	31	17	.	.	PROPN
cet-5081	32	1	(	(	PUNCT
cet-5081	32	2	2012	2012	NUM
cet-5081	32	3	)	)	PUNCT
cet-5081	32	4	.	.	PUNCT
cet-5081	33	1	in	in	ADP
cet-5081	33	2	that	that	DET
cet-5081	33	3	work	work	NOUN
cet-5081	33	4	,	,	PUNCT
cet-5081	33	5	the	the	DET
cet-5081	33	6	researchers	researcher	NOUN
cet-5081	33	7	used	use	VERB
cet-5081	33	8	quantum	quantum	ADJ
cet-5081	33	9	mechanical	mechanical	ADJ
cet-5081	33	10	methods	method	NOUN
cet-5081	33	11	to	to	PART
cet-5081	33	12	estimate	estimate	VERB
cet-5081	33	13	thermochemical	thermochemical	ADJ
cet-5081	33	14	properties	property	NOUN
cet-5081	33	15	of	of	ADP
cet-5081	33	16	compounds	compound	NOUN
cet-5081	33	17	present	present	ADJ
cet-5081	33	18	in	in	ADP
cet-5081	33	19	the	the	DET
cet-5081	33	20	biodiesel	biodiesel	NOUN
cet-5081	33	21	production	production	NOUN
cet-5081	33	22	process	process	NOUN
cet-5081	33	23	.	.	PUNCT
cet-5081	34	1	the	the	DET
cet-5081	34	2	method	method	NOUN
cet-5081	34	3	used	use	VERB
cet-5081	34	4	is	be	AUX
cet-5081	34	5	an	an	DET
cet-5081	34	6	alternative	alternative	NOUN
cet-5081	34	7	to	to	ADP
cet-5081	34	8	classical	classical	ADJ
cet-5081	34	9	group	group	NOUN
cet-5081	34	10	contribution	contribution	NOUN
cet-5081	34	11	estimation	estimation	NOUN
cet-5081	34	12	methods	method	NOUN
cet-5081	34	13	,	,	PUNCT
cet-5081	34	14	as	as	ADP
cet-5081	34	15	the	the	DET
cet-5081	34	16	one	one	NOUN
cet-5081	34	17	described	describe	VERB
cet-5081	34	18	by	by	ADP
cet-5081	34	19	cunico	cunico	PROPN
cet-5081	34	20	et	et	PROPN
cet-5081	34	21	al	al	PROPN
cet-5081	34	22	.	.	PROPN
cet-5081	35	1	(	(	PUNCT
cet-5081	35	2	2013	2013	NUM
cet-5081	35	3	)	)	PUNCT
cet-5081	35	4	.	.	PUNCT
cet-5081	36	1	here	here	ADV
cet-5081	36	2	,	,	PUNCT
cet-5081	36	3	the	the	DET
cet-5081	36	4	prediction	prediction	NOUN
cet-5081	36	5	power	power	NOUN
cet-5081	36	6	of	of	ADP
cet-5081	36	7	the	the	PRON
cet-5081	36	8	of	of	ADP
cet-5081	36	9	the	the	DET
cet-5081	36	10	activity	activity	NOUN
cet-5081	36	11	coefficients	coefficient	NOUN
cet-5081	36	12	obtained	obtain	VERB
cet-5081	36	13	by	by	ADP
cet-5081	36	14	this	this	DET
cet-5081	36	15	method	method	NOUN
cet-5081	36	16	was	be	AUX
cet-5081	36	17	evaluated	evaluate	VERB
cet-5081	36	18	.	.	PUNCT
cet-5081	37	1	for	for	ADP
cet-5081	37	2	this	this	DET
cet-5081	37	3	purpose	purpose	NOUN
cet-5081	37	4	,	,	PUNCT
cet-5081	37	5	experimental	experimental	ADJ
cet-5081	37	6	data	datum	NOUN
cet-5081	37	7	of	of	ADP
cet-5081	37	8	a	a	DET
cet-5081	37	9	binary	binary	ADJ
cet-5081	37	10	system	system	NOUN
cet-5081	37	11	of	of	ADP
cet-5081	37	12	methanol	methanol	NOUN
cet-5081	37	13	(	(	PUNCT
cet-5081	37	14	1	1	NUM
cet-5081	37	15	)	)	PUNCT
cet-5081	37	16	and	and	CCONJ
cet-5081	37	17	glycerol	glycerol	NOUN
cet-5081	37	18	(	(	PUNCT
cet-5081	37	19	2	2	NUM
cet-5081	37	20	)	)	PUNCT
cet-5081	37	21	at	at	ADP
cet-5081	37	22	32.02	32.02	NUM
cet-5081	37	23	kpa	kpa	NOUN
cet-5081	37	24	were	be	AUX
cet-5081	37	25	selected	select	VERB
cet-5081	37	26	(	(	PUNCT
cet-5081	37	27	soujanya	soujanya	NOUN
cet-5081	37	28	et	et	PROPN
cet-5081	37	29	al	al	PROPN
cet-5081	37	30	.	.	PROPN
cet-5081	37	31	,	,	PUNCT
cet-5081	37	32	2010	2010	NUM
cet-5081	37	33	)	)	PUNCT
cet-5081	37	34	,	,	PUNCT
cet-5081	37	35	in	in	ADP
cet-5081	37	36	order	order	NOUN
cet-5081	37	37	to	to	PART
cet-5081	37	38	compare	compare	VERB
cet-5081	37	39	with	with	ADP
cet-5081	37	40	the	the	DET
cet-5081	37	41	calculated	calculate	VERB
cet-5081	37	42	values	value	NOUN
cet-5081	37	43	of	of	ADP
cet-5081	37	44	the	the	DET
cet-5081	37	45	activity	activity	NOUN
cet-5081	37	46	coefficients	coefficient	NOUN
cet-5081	37	47	.	.	PUNCT
cet-5081	38	1	the	the	DET
cet-5081	38	2	mean	mean	ADJ
cet-5081	38	3	absolute	absolute	ADJ
cet-5081	38	4	deviation	deviation	NOUN
cet-5081	38	5	(	(	PUNCT
cet-5081	38	6	mad	mad	ADJ
cet-5081	38	7	)	)	PUNCT
cet-5081	38	8	between	between	ADP
cet-5081	38	9	the	the	DET
cet-5081	38	10	experimental	experimental	ADJ
cet-5081	38	11	and	and	CCONJ
cet-5081	38	12	calculated	calculated	ADJ
cet-5081	38	13	values	value	NOUN
cet-5081	38	14	of	of	ADP
cet-5081	38	15	activity	activity	NOUN
cet-5081	38	16	coefficients	coefficient	NOUN
cet-5081	38	17	was	be	AUX
cet-5081	38	18	obtained	obtain	VERB
cet-5081	38	19	eq(1	eq(1	NOUN
cet-5081	38	20	):	):	PUNCT
cet-5081	38	21	(	(	PUNCT
cet-5081	38	22	%	%	INTJ
cet-5081	38	23	)	)	PUNCT
cet-5081	38	24	=	=	SYM
cet-5081	39	1	1np	1np	ADP
cet-5081	39	2	γ	γ	X
cet-5081	39	3	−	−	PROPN
cet-5081	39	4	γ	γ	X
cet-5081	39	5	∙	∙	PROPN
cet-5081	39	6	100	100	NUM
cet-5081	39	7	(	(	PUNCT
cet-5081	39	8	1	1	X
cet-5081	39	9	)	)	PUNCT
cet-5081	39	10	the	the	DET
cet-5081	39	11	gibbs	gibbs	PROPN
cet-5081	39	12	energy	energy	NOUN
cet-5081	39	13	(	(	PUNCT
cet-5081	39	14	)	)	PUNCT
cet-5081	39	15	minimization	minimization	NOUN
cet-5081	39	16	method	method	NOUN
cet-5081	39	17	was	be	AUX
cet-5081	39	18	used	use	VERB
cet-5081	39	19	to	to	PART
cet-5081	39	20	calculate	calculate	VERB
cet-5081	39	21	the	the	DET
cet-5081	39	22	phase	phase	NOUN
cet-5081	39	23	equilibrium	equilibrium	NOUN
cet-5081	39	24	for	for	ADP
cet-5081	39	25	binary	binary	ADJ
cet-5081	39	26	mixtures	mixture	NOUN
cet-5081	39	27	containing	contain	VERB
cet-5081	39	28	water	water	NOUN
cet-5081	39	29	,	,	PUNCT
cet-5081	39	30	methanol	methanol	NOUN
cet-5081	39	31	and	and	CCONJ
cet-5081	39	32	glycerol	glycerol	NOUN
cet-5081	39	33	using	use	VERB
cet-5081	39	34	global	global	ADJ
cet-5081	39	35	optimization	optimization	NOUN
cet-5081	39	36	techniques	technique	NOUN
cet-5081	39	37	and	and	CCONJ
cet-5081	39	38	gams	gam	NOUN
cet-5081	39	39	23.2.1	23.2.1	PROPN
cet-5081	39	40	software	software	NOUN
cet-5081	39	41	.	.	PUNCT
cet-5081	40	1	a	a	DET
cet-5081	40	2	condition	condition	NOUN
cet-5081	40	3	considered	consider	VERB
cet-5081	40	4	sufficient	sufficient	ADJ
cet-5081	40	5	to	to	ADP
cet-5081	40	6	thermodynamic	thermodynamic	ADJ
cet-5081	40	7	equilibrium	equilibrium	NOUN
cet-5081	40	8	is	be	AUX
cet-5081	40	9	given	give	VERB
cet-5081	40	10	by	by	ADP
cet-5081	40	11	minimizing	minimize	VERB
cet-5081	40	12	the	the	DET
cet-5081	40	13	gibbs	gibbs	PROPN
cet-5081	40	14	energy	energy	NOUN
cet-5081	40	15	.	.	PUNCT
cet-5081	41	1	for	for	ADP
cet-5081	41	2	the	the	DET
cet-5081	41	3	use	use	NOUN
cet-5081	41	4	of	of	ADP
cet-5081	41	5	this	this	DET
cet-5081	41	6	methodology	methodology	NOUN
cet-5081	41	7	is	be	AUX
cet-5081	41	8	necessary	necessary	ADJ
cet-5081	41	9	to	to	PART
cet-5081	41	10	obtain	obtain	VERB
cet-5081	41	11	an	an	DET
cet-5081	41	12	expression	expression	NOUN
cet-5081	41	13	for	for	ADP
cet-5081	41	14	which	which	PRON
cet-5081	41	15	is	be	AUX
cet-5081	41	16	dependent	dependent	ADJ
cet-5081	41	17	of	of	ADP
cet-5081	41	18	variables	variable	NOUN
cet-5081	41	19	such	such	ADJ
cet-5081	41	20	as	as	ADP
cet-5081	41	21	temperature	temperature	NOUN
cet-5081	41	22	,	,	PUNCT
cet-5081	41	23	pressure	pressure	NOUN
cet-5081	41	24	and	and	CCONJ
cet-5081	41	25	composition	composition	NOUN
cet-5081	41	26	.	.	PUNCT
cet-5081	42	1	the	the	DET
cet-5081	42	2	eq(2	eq(2	PROPN
cet-5081	42	3	)	)	PUNCT
cet-5081	42	4	is	be	AUX
cet-5081	42	5	this	this	DET
cet-5081	42	6	equation	equation	NOUN
cet-5081	42	7	:	:	PUNCT
cet-5081	42	8	g	g	PROPN
cet-5081	42	9	=	=	PUNCT
cet-5081	42	10	∙	∙	PROPN
cet-5081	42	11	μ	μ	PROPN
cet-5081	42	12	(	(	PUNCT
cet-5081	42	13	t	t	PROPN
cet-5081	42	14	)	)	PUNCT
cet-5081	43	1	+	+	NOUN
cet-5081	43	2	r	r	NOUN
cet-5081	43	3	∙	∙	PROPN
cet-5081	43	4	t	t	NOUN
cet-5081	43	5	∙	∙	PROPN
cet-5081	44	1	∙	∙	PROPN
cet-5081	44	2	ln	ln	ADJ
cet-5081	44	3	p	p	NOUN
cet-5081	45	1	+	+	NOUN
cet-5081	45	2	r	r	NOUN
cet-5081	45	3	∙	∙	PROPN
cet-5081	45	4	t	t	NOUN
cet-5081	45	5	∙	∙	PROPN
cet-5081	45	6	∙	∙	PROPN
cet-5081	45	7	ln	ln	PROPN
cet-5081	46	1	+	+	CCONJ
cet-5081	46	2	∙	∙	PROPN
cet-5081	46	3	g	g	NOUN
cet-5081	46	4	+	+	PROPN
cet-5081	46	5	n	n	PROPN
cet-5081	46	6	∙	∙	PROPN
cet-5081	46	7	μ	μ	PROPN
cet-5081	46	8	(	(	PUNCT
cet-5081	46	9	t	t	PROPN
cet-5081	46	10	)	)	PUNCT
cet-5081	46	11	(	(	PUNCT
cet-5081	46	12	2	2	X
cet-5081	46	13	)	)	PUNCT
cet-5081	47	1	+	+	NOUN
cet-5081	47	2	r	r	NOUN
cet-5081	47	3	∙	∙	PROPN
cet-5081	47	4	t	t	PROPN
cet-5081	47	5	∙	∙	PROPN
cet-5081	48	1	n	n	PROPN
cet-5081	48	2	∙	∙	PROPN
cet-5081	48	3	ln	ln	PROPN
cet-5081	48	4	y	y	PROPN
cet-5081	48	5	+	+	CCONJ
cet-5081	48	6	r	r	NOUN
cet-5081	48	7	∙	∙	PROPN
cet-5081	48	8	t	t	PROPN
cet-5081	48	9	∙	∙	PROPN
cet-5081	48	10	n	n	PROPN
cet-5081	48	11	∙	∙	PROPN
cet-5081	48	12	ln	ln	NOUN
cet-5081	49	1	p	p	X
cet-5081	50	1	where	where	SCONJ
cet-5081	50	2	and	and	CCONJ
cet-5081	50	3	are	be	AUX
cet-5081	50	4	the	the	DET
cet-5081	50	5	number	number	NOUN
cet-5081	50	6	of	of	ADP
cet-5081	50	7	moles	mole	NOUN
cet-5081	50	8	of	of	ADP
cet-5081	50	9	component	component	NOUN
cet-5081	50	10	in	in	ADP
cet-5081	50	11	the	the	DET
cet-5081	50	12	liquid	liquid	ADJ
cet-5081	50	13	phase	phase	NOUN
cet-5081	50	14	and	and	CCONJ
cet-5081	50	15	the	the	DET
cet-5081	50	16	total	total	ADJ
cet-5081	50	17	number	number	NOUN
cet-5081	50	18	of	of	ADP
cet-5081	50	19	moles	mole	NOUN
cet-5081	50	20	of	of	ADP
cet-5081	50	21	the	the	DET
cet-5081	50	22	liquid	liquid	ADJ
cet-5081	50	23	phase	phase	NOUN
cet-5081	50	24	,	,	PUNCT
cet-5081	50	25	respectively	respectively	ADV
cet-5081	50	26	,	,	PUNCT
cet-5081	50	27	t	t	PROPN
cet-5081	50	28	is	be	AUX
cet-5081	50	29	the	the	DET
cet-5081	50	30	temperature	temperature	NOUN
cet-5081	50	31	,	,	PUNCT
cet-5081	50	32	r	r	NOUN
cet-5081	50	33	is	be	AUX
cet-5081	50	34	the	the	DET
cet-5081	50	35	universal	universal	ADJ
cet-5081	50	36	gas	gas	NOUN
cet-5081	50	37	constant	constant	ADJ
cet-5081	50	38	,	,	PUNCT
cet-5081	50	39	p	p	NOUN
cet-5081	50	40	is	be	AUX
cet-5081	50	41	the	the	DET
cet-5081	50	42	pressure	pressure	NOUN
cet-5081	50	43	of	of	ADP
cet-5081	50	44	the	the	DET
cet-5081	50	45	system	system	NOUN
cet-5081	50	46	,	,	PUNCT
cet-5081	50	47	p	p	NOUN
cet-5081	50	48	is	be	AUX
cet-5081	50	49	the	the	DET
cet-5081	50	50	vapor	vapor	NOUN
cet-5081	50	51	pressure	pressure	NOUN
cet-5081	50	52	of	of	ADP
cet-5081	50	53	the	the	DET
cet-5081	50	54	component	component	NOUN
cet-5081	50	55	,	,	PUNCT
cet-5081	50	56	calculated	calculate	VERB
cet-5081	50	57	using	use	VERB
cet-5081	50	58	the	the	DET
cet-5081	50	59	dippr	dippr	ADJ
cet-5081	50	60	correlation	correlation	NOUN
cet-5081	50	61	(	(	PUNCT
cet-5081	50	62	daubert	daubert	ADJ
cet-5081	50	63	and	and	CCONJ
cet-5081	50	64	danner	danner	NOUN
cet-5081	50	65	,	,	PUNCT
cet-5081	50	66	1985	1985	NUM
cet-5081	50	67	)	)	PUNCT
cet-5081	50	68	,	,	PUNCT
cet-5081	50	69	and	and	CCONJ
cet-5081	50	70	are	be	AUX
cet-5081	50	71	the	the	DET
cet-5081	50	72	mole	mole	NOUN
cet-5081	50	73	fractions	fraction	NOUN
cet-5081	50	74	of	of	ADP
cet-5081	50	75	the	the	DET
cet-5081	50	76	vapor	vapor	NOUN
cet-5081	50	77	and	and	CCONJ
cet-5081	50	78	liquid	liquid	ADJ
cet-5081	50	79	phases	phase	NOUN
cet-5081	50	80	of	of	ADP
cet-5081	50	81	the	the	DET
cet-5081	50	82	component	component	NOUN
cet-5081	50	83	,	,	PUNCT
cet-5081	50	84	respectively	respectively	ADV
cet-5081	50	85	,	,	PUNCT
cet-5081	50	86	g	g	PROPN
cet-5081	50	87	is	be	AUX
cet-5081	50	88	the	the	DET
cet-5081	50	89	excess	excess	ADJ
cet-5081	50	90	molar	molar	ADJ
cet-5081	50	91	gibbs	gibbs	PROPN
cet-5081	50	92	energy	energy	NOUN
cet-5081	50	93	of	of	ADP
cet-5081	50	94	the	the	DET
cet-5081	50	95	component	component	NOUN
cet-5081	50	96	(	(	PUNCT
cet-5081	50	97	obtained	obtain	VERB
cet-5081	50	98	by	by	ADP
cet-5081	50	99	cosmo	cosmo	NOUN
cet-5081	50	100	-	-	PUNCT
cet-5081	50	101	sac	sac	NOUN
cet-5081	50	102	model	model	NOUN
cet-5081	50	103	)	)	PUNCT
cet-5081	50	104	,	,	PUNCT
cet-5081	50	105	nc	nc	PROPN
cet-5081	50	106	is	be	AUX
cet-5081	50	107	the	the	DET
cet-5081	50	108	number	number	NOUN
cet-5081	50	109	of	of	ADP
cet-5081	50	110	components	component	NOUN
cet-5081	50	111	in	in	ADP
cet-5081	50	112	the	the	DET
cet-5081	50	113	system	system	NOUN
cet-5081	50	114	,	,	PUNCT
cet-5081	50	115	and	and	CCONJ
cet-5081	50	116	μ	μ	PROPN
cet-5081	50	117	(	(	PUNCT
cet-5081	50	118	t	t	PROPN
cet-5081	50	119	)	)	PUNCT
cet-5081	50	120	is	be	AUX
cet-5081	50	121	the	the	DET
cet-5081	50	122	reference	reference	NOUN
cet-5081	50	123	chemical	chemical	NOUN
cet-5081	50	124	potential	potential	NOUN
cet-5081	50	125	of	of	ADP
cet-5081	50	126	component	component	NOUN
cet-5081	50	127	,	,	PUNCT
cet-5081	50	128	given	give	VERB
cet-5081	50	129	by	by	ADP
cet-5081	50	130	:	:	PUNCT
cet-5081	50	131	μ	μ	PROPN
cet-5081	50	132	(	(	PUNCT
cet-5081	50	133	t	t	PROPN
cet-5081	50	134	)	)	PUNCT
cet-5081	51	1	=	=	SYM
cet-5081	51	2	tt	tt	PROPN
cet-5081	51	3	∙	∙	PROPN
cet-5081	51	4	∆g	∆g	PROPN
cet-5081	51	5	,	,	PUNCT
cet-5081	51	6	+	+	CCONJ
cet-5081	51	7	∆h	∆h	PROPN
cet-5081	51	8	,	,	PUNCT
cet-5081	51	9	∙	∙	PROPN
cet-5081	51	10	1	1	NUM
cet-5081	51	11	−	−	NOUN
cet-5081	51	12	tt	tt	PROPN
cet-5081	51	13	−	−	PROPN
cet-5081	51	14	a6	a6	NOUN
cet-5081	51	15	∙	∙	PROPN
cet-5081	51	16	(	(	PUNCT
cet-5081	51	17	t	t	PROPN
cet-5081	51	18	−	−	PROPN
cet-5081	51	19	3	3	NUM
cet-5081	51	20	∙	∙	PROPN
cet-5081	51	21	t	t	PROPN
cet-5081	51	22	∙	∙	PROPN
cet-5081	51	23	t	t	PROPN
cet-5081	52	1	+	+	CCONJ
cet-5081	52	2	2	2	NUM
cet-5081	52	3	∙	∙	PROPN
cet-5081	52	4	t	t	NOUN
cet-5081	52	5	)	)	PUNCT
cet-5081	52	6	−	−	PROPN
cet-5081	52	7	b2	b2	NOUN
cet-5081	52	8	∙	∙	PROPN
cet-5081	52	9	(	(	PUNCT
cet-5081	52	10	t	t	PROPN
cet-5081	52	11	−	−	PROPN
cet-5081	52	12	t	t	PROPN
cet-5081	52	13	)	)	PUNCT
cet-5081	52	14	(	(	PUNCT
cet-5081	52	15	3	3	X
cet-5081	52	16	)	)	PUNCT
cet-5081	52	17	−c	−c	NOUN
cet-5081	52	18	∙	∙	PROPN
cet-5081	52	19	t	t	PROPN
cet-5081	52	20	∙	∙	PROPN
cet-5081	52	21	ln	ln	PROPN
cet-5081	52	22	tt	tt	PROPN
cet-5081	52	23	+	+	PROPN
cet-5081	52	24	t	t	PROPN
cet-5081	52	25	−	−	PROPN
cet-5081	52	26	t	t	PROPN
cet-5081	52	27	in	in	ADP
cet-5081	52	28	which	which	PRON
cet-5081	52	29	t	t	NOUN
cet-5081	52	30	is	be	AUX
cet-5081	52	31	the	the	DET
cet-5081	52	32	reference	reference	NOUN
cet-5081	52	33	temperature	temperature	NOUN
cet-5081	52	34	(	(	PUNCT
cet-5081	52	35	298.15	298.15	NUM
cet-5081	52	36	k	k	NOUN
cet-5081	52	37	)	)	PUNCT
cet-5081	52	38	,	,	PUNCT
cet-5081	52	39	∆g	∆g	PROPN
cet-5081	52	40	,	,	PUNCT
cet-5081	52	41	is	be	AUX
cet-5081	52	42	the	the	DET
cet-5081	52	43	standard	standard	ADJ
cet-5081	52	44	molar	molar	ADJ
cet-5081	52	45	gibbs	gibbs	PROPN
cet-5081	52	46	energy	energy	NOUN
cet-5081	52	47	of	of	ADP
cet-5081	52	48	formation	formation	NOUN
cet-5081	52	49	,	,	PUNCT
cet-5081	52	50	∆h	∆h	PROPN
cet-5081	52	51	,	,	PUNCT
cet-5081	52	52	is	be	AUX
cet-5081	52	53	the	the	DET
cet-5081	52	54	standard	standard	ADJ
cet-5081	52	55	molar	molar	ADJ
cet-5081	52	56	enthalpy	enthalpy	NOUN
cet-5081	52	57	of	of	ADP
cet-5081	52	58	formation	formation	NOUN
cet-5081	52	59	,	,	PUNCT
cet-5081	52	60	a	a	DET
cet-5081	52	61	,	,	PUNCT
cet-5081	52	62	b	b	NOUN
cet-5081	52	63	and	and	CCONJ
cet-5081	52	64	c	c	PROPN
cet-5081	52	65	are	be	AUX
cet-5081	52	66	the	the	DET
cet-5081	52	67	terms	term	NOUN
cet-5081	52	68	of	of	ADP
cet-5081	52	69	the	the	DET
cet-5081	52	70	second	second	ADJ
cet-5081	52	71	degree	degree	NOUN
cet-5081	52	72	polynomial	polynomial	ADJ
cet-5081	52	73	to	to	ADP
cet-5081	52	74	the	the	DET
cet-5081	52	75	heat	heat	NOUN
cet-5081	52	76	capacity	capacity	NOUN
cet-5081	52	77	,	,	PUNCT
cet-5081	52	78	previously	previously	ADV
cet-5081	52	79	obtained	obtain	VERB
cet-5081	52	80	by	by	ADP
cet-5081	52	81	the	the	DET
cet-5081	52	82	method	method	NOUN
cet-5081	52	83	described	describe	VERB
cet-5081	52	84	by	by	ADP
cet-5081	52	85	borghi	borghi	PROPN
cet-5081	52	86	et	et	PROPN
cet-5081	52	87	al	al	PROPN
cet-5081	52	88	.	.	PROPN
cet-5081	53	1	(	(	PUNCT
cet-5081	53	2	2012	2012	NUM
cet-5081	53	3	):	):	PUNCT
cet-5081	53	4	1880	1880	NUM
cet-5081	53	5	cp	cp	NOUN
cet-5081	53	6	=	=	PUNCT
cet-5081	53	7	a	a	DET
cet-5081	53	8	∙	∙	PROPN
cet-5081	53	9	t	t	PROPN
cet-5081	53	10	+	+	CCONJ
cet-5081	53	11	b	b	PROPN
cet-5081	53	12	∙	∙	PROPN
cet-5081	53	13	t	t	PROPN
cet-5081	54	1	+	+	NUM
cet-5081	54	2	c	c	X
cet-5081	54	3	(	(	PUNCT
cet-5081	54	4	4	4	NUM
cet-5081	54	5	)	)	PUNCT
cet-5081	54	6	to	to	PART
cet-5081	54	7	solve	solve	VERB
cet-5081	54	8	the	the	DET
cet-5081	54	9	problem	problem	NOUN
cet-5081	54	10	of	of	ADP
cet-5081	54	11	gibbs	gibbs	PROPN
cet-5081	54	12	energy	energy	NOUN
cet-5081	54	13	minimization	minimization	NOUN
cet-5081	54	14	using	use	VERB
cet-5081	54	15	the	the	DET
cet-5081	54	16	eq(2	eq(2	PROPN
cet-5081	54	17	)	)	PUNCT
cet-5081	54	18	,	,	PUNCT
cet-5081	54	19	certain	certain	ADJ
cet-5081	54	20	restrictions	restriction	NOUN
cet-5081	54	21	must	must	AUX
cet-5081	54	22	be	be	AUX
cet-5081	54	23	satisfied	satisfied	ADJ
cet-5081	54	24	as	as	ADP
cet-5081	54	25	the	the	DET
cet-5081	54	26	non	non	ADJ
cet-5081	54	27	-	-	NOUN
cet-5081	54	28	negativity	negativity	NOUN
cet-5081	54	29	of	of	ADP
cet-5081	54	30	the	the	DET
cet-5081	54	31	number	number	NOUN
cet-5081	54	32	of	of	ADP
cet-5081	54	33	moles	mole	NOUN
cet-5081	54	34	and	and	CCONJ
cet-5081	54	35	the	the	DET
cet-5081	54	36	conservation	conservation	NOUN
cet-5081	54	37	of	of	ADP
cet-5081	54	38	the	the	DET
cet-5081	54	39	number	number	NOUN
cet-5081	54	40	of	of	ADP
cet-5081	54	41	moles	mole	NOUN
cet-5081	54	42	.	.	PUNCT
cet-5081	55	1	some	some	DET
cet-5081	55	2	parameters	parameter	NOUN
cet-5081	55	3	,	,	PUNCT
cet-5081	55	4	such	such	ADJ
cet-5081	55	5	as	as	ADP
cet-5081	55	6	r	r	PROPN
cet-5081	55	7	,	,	PUNCT
cet-5081	55	8	t	t	PROPN
cet-5081	55	9	and	and	CCONJ
cet-5081	55	10	p	p	NOUN
cet-5081	55	11	remain	remain	VERB
cet-5081	55	12	constant	constant	ADJ
cet-5081	55	13	throughout	throughout	ADP
cet-5081	55	14	the	the	DET
cet-5081	55	15	optimization	optimization	NOUN
cet-5081	55	16	.	.	PUNCT
cet-5081	56	1	finally	finally	ADV
cet-5081	56	2	,	,	PUNCT
cet-5081	56	3	to	to	PART
cet-5081	56	4	quantify	quantify	VERB
cet-5081	56	5	the	the	DET
cet-5081	56	6	deviation	deviation	NOUN
cet-5081	56	7	between	between	ADP
cet-5081	56	8	the	the	DET
cet-5081	56	9	calculated	calculate	VERB
cet-5081	56	10	and	and	CCONJ
cet-5081	56	11	the	the	DET
cet-5081	56	12	experimental	experimental	ADJ
cet-5081	56	13	data	datum	NOUN
cet-5081	56	14	,	,	PUNCT
cet-5081	56	15	the	the	DET
cet-5081	56	16	mean	mean	ADJ
cet-5081	56	17	absolute	absolute	ADJ
cet-5081	56	18	deviation	deviation	NOUN
cet-5081	56	19	was	be	AUX
cet-5081	56	20	used	use	VERB
cet-5081	56	21	.	.	PUNCT
cet-5081	57	1	3	3	X
cet-5081	57	2	.	.	NOUN
cet-5081	57	3	results	result	NOUN
cet-5081	57	4	e	e	NOUN
cet-5081	57	5	discussion	discussion	NOUN
cet-5081	57	6	table	table	NOUN
cet-5081	57	7	1	1	NUM
cet-5081	57	8	shows	show	VERB
cet-5081	57	9	the	the	DET
cet-5081	57	10	comparison	comparison	NOUN
cet-5081	57	11	between	between	ADP
cet-5081	57	12	experimental	experimental	ADJ
cet-5081	57	13	and	and	CCONJ
cet-5081	57	14	calculated	calculate	VERB
cet-5081	57	15	activity	activity	NOUN
cet-5081	57	16	coefficients	coefficient	NOUN
cet-5081	57	17	of	of	ADP
cet-5081	57	18	the	the	DET
cet-5081	57	19	binary	binary	ADJ
cet-5081	57	20	mixture	mixture	NOUN
cet-5081	57	21	of	of	ADP
cet-5081	57	22	methanol	methanol	NOUN
cet-5081	57	23	and	and	CCONJ
cet-5081	57	24	glycerol	glycerol	NOUN
cet-5081	57	25	,	,	PUNCT
cet-5081	57	26	at	at	ADP
cet-5081	57	27	the	the	DET
cet-5081	57	28	pressure	pressure	NOUN
cet-5081	57	29	of	of	ADP
cet-5081	57	30	32.02	32.02	NUM
cet-5081	57	31	kpa	kpa	NOUN
cet-5081	57	32	,	,	PUNCT
cet-5081	57	33	in	in	ADP
cet-5081	57	34	which	which	PRON
cet-5081	57	35	is	be	AUX
cet-5081	57	36	the	the	DET
cet-5081	57	37	molar	molar	ADJ
cet-5081	57	38	fraction	fraction	NOUN
cet-5081	57	39	of	of	ADP
cet-5081	57	40	methanol	methanol	NOUN
cet-5081	57	41	,	,	PUNCT
cet-5081	57	42	t	t	PROPN
cet-5081	57	43	is	be	AUX
cet-5081	57	44	the	the	DET
cet-5081	57	45	temperature	temperature	NOUN
cet-5081	57	46	in	in	ADP
cet-5081	57	47	kelvin	kelvin	PROPN
cet-5081	57	48	and	and	CCONJ
cet-5081	57	49	γ	γ	PROPN
cet-5081	57	50	and	and	CCONJ
cet-5081	57	51	γ	γ	NOUN
cet-5081	57	52	are	be	AUX
cet-5081	57	53	the	the	DET
cet-5081	57	54	experimental	experimental	ADJ
cet-5081	57	55	activity	activity	NOUN
cet-5081	57	56	coefficients	coefficient	NOUN
cet-5081	57	57	for	for	ADP
cet-5081	57	58	methanol	methanol	NOUN
cet-5081	57	59	and	and	CCONJ
cet-5081	57	60	glycerol	glycerol	NOUN
cet-5081	57	61	,	,	PUNCT
cet-5081	57	62	respectively	respectively	ADV
cet-5081	57	63	(	(	PUNCT
cet-5081	57	64	soujanya	soujanya	PROPN
cet-5081	57	65	et	et	PROPN
cet-5081	57	66	al	al	PROPN
cet-5081	57	67	.	.	PROPN
cet-5081	57	68	,	,	PUNCT
cet-5081	57	69	2010	2010	NUM
cet-5081	57	70	)	)	PUNCT
cet-5081	57	71	,	,	PUNCT
cet-5081	57	72	and	and	CCONJ
cet-5081	57	73	γ	γ	NOUN
cet-5081	57	74	and	and	CCONJ
cet-5081	57	75	γ	γ	NOUN
cet-5081	57	76	are	be	AUX
cet-5081	57	77	the	the	DET
cet-5081	57	78	calculated	calculate	VERB
cet-5081	57	79	activity	activity	NOUN
cet-5081	57	80	coefficients	coefficient	NOUN
cet-5081	57	81	.	.	PUNCT
cet-5081	58	1	table	table	NOUN
cet-5081	58	2	1	1	NUM
cet-5081	58	3	:	:	PUNCT
cet-5081	58	4	comparison	comparison	NOUN
cet-5081	58	5	between	between	ADP
cet-5081	58	6	experimental	experimental	ADJ
cet-5081	58	7	and	and	CCONJ
cet-5081	58	8	calculated	calculate	VERB
cet-5081	58	9	activity	activity	NOUN
cet-5081	58	10	coefficients	coefficient	NOUN
cet-5081	58	11	of	of	ADP
cet-5081	58	12	the	the	DET
cet-5081	58	13	mixture	mixture	NOUN
cet-5081	58	14	of	of	ADP
cet-5081	58	15	methanol	methanol	NOUN
cet-5081	58	16	(	(	PUNCT
cet-5081	58	17	1	1	NUM
cet-5081	58	18	)	)	PUNCT
cet-5081	58	19	and	and	CCONJ
cet-5081	58	20	glycerol	glycerol	NOUN
cet-5081	58	21	(	(	PUNCT
cet-5081	58	22	2	2	NUM
cet-5081	58	23	)	)	PUNCT
cet-5081	58	24	.	.	PUNCT
cet-5081	59	1	x	x	PUNCT
cet-5081	59	2	t(k	t(k	NOUN
cet-5081	59	3	)	)	PUNCT
cet-5081	59	4	γ	γ	PROPN
cet-5081	59	5	γ	γ	X
cet-5081	59	6	γ	γ	X
cet-5081	59	7	(	(	PUNCT
cet-5081	59	8	a	a	NOUN
cet-5081	59	9	)	)	PUNCT
cet-5081	59	10	γ	γ	X
cet-5081	59	11	(	(	PUNCT
cet-5081	59	12	a	a	NOUN
cet-5081	59	13	)	)	PUNCT
cet-5081	59	14	γ	γ	X
cet-5081	59	15	(	(	PUNCT
cet-5081	59	16	b	b	NOUN
cet-5081	59	17	)	)	PUNCT
cet-5081	59	18	γ	γ	PROPN
cet-5081	59	19	(	(	PUNCT
cet-5081	59	20	b	b	NOUN
cet-5081	59	21	)	)	PUNCT
cet-5081	59	22	0	0	NUM
cet-5081	60	1	521.8	521.8	NUM
cet-5081	60	2	1.680324	1.680324	NUM
cet-5081	60	3	1	1	NUM
cet-5081	60	4	0.825976	0.825976	NUM
cet-5081	60	5	1	1	NUM
cet-5081	60	6	0.9	0.9	NUM
cet-5081	60	7	1	1	NUM
cet-5081	60	8	0.1	0.1	NUM
cet-5081	60	9	356.8	356.8	NUM
cet-5081	60	10	1.545155	1.545155	NUM
cet-5081	60	11	1.004458	1.004458	NUM
cet-5081	60	12	0.844743	0.844743	NUM
cet-5081	60	13	0.998653	0.998653	NUM
cet-5081	60	14	0,914	0,914	NUM
cet-5081	60	15	0.998	0.998	NUM
cet-5081	60	16	0.2	0.2	NUM
cet-5081	60	17	340.25	340.25	NUM
cet-5081	60	18	1.428468	1.428468	NUM
cet-5081	60	19	1.018517	1.018517	NUM
cet-5081	60	20	0.865785	0.865785	NUM
cet-5081	60	21	0.994216	0.994216	NUM
cet-5081	60	22	0.929	0.929	NUM
cet-5081	60	23	0.996	0.996	NUM
cet-5081	60	24	0.3	0.3	NUM
cet-5081	60	25	331.9	331.9	NUM
cet-5081	60	26	1.328211	1.328211	NUM
cet-5081	60	27	1.043582	1.043582	NUM
cet-5081	60	28	0.887257	0.887257	NUM
cet-5081	60	29	0.986012	0.986012	NUM
cet-5081	60	30	0.942	0.942	NUM
cet-5081	60	31	0.991	0.991	NUM
cet-5081	60	32	0.4	0.4	NUM
cet-5081	60	33	326.6	326.6	NUM
cet-5081	60	34	1.242749	1.242749	NUM
cet-5081	60	35	1.08171	1.08171	NUM
cet-5081	60	36	0.908788	0.908788	NUM
cet-5081	60	37	0.97323	0.97323	NUM
cet-5081	60	38	0.953	0.953	NUM
cet-5081	60	39	0.985	0.985	NUM
cet-5081	60	40	0.5	0.5	NUM
cet-5081	60	41	322.8	322.8	NUM
cet-5081	60	42	1.170837	1.170837	NUM
cet-5081	60	43	1.135884	1.135884	NUM
cet-5081	60	44	0.929962	0.929962	NUM
cet-5081	60	45	0.954906	0.954906	NUM
cet-5081	60	46	0.968	0.968	NUM
cet-5081	60	47	0.973	0.973	NUM
cet-5081	60	48	0.6	0.6	NUM
cet-5081	60	49	319.8	319.8	NUM
cet-5081	60	50	1.111608	1.111608	NUM
cet-5081	60	51	1.210458	1.210458	NUM
cet-5081	60	52	0.950212	0.950212	NUM
cet-5081	60	53	0.929897	0.929897	NUM
cet-5081	60	54	0.978	0.978	NUM
cet-5081	60	55	0.96	0.96	NUM
cet-5081	60	56	0.7	0.7	NUM
cet-5081	60	57	317.35	317.35	NUM
cet-5081	60	58	1.064599	1.064599	NUM
cet-5081	60	59	1.311871	1.311871	NUM
cet-5081	60	60	0.968743	0.968743	NUM
cet-5081	60	61	0.896875	0.896875	NUM
cet-5081	60	62	0.988	0.988	NUM
cet-5081	60	63	0.944	0.944	NUM
cet-5081	60	64	0.8	0.8	NUM
cet-5081	60	65	315.15	315.15	NUM
cet-5081	60	66	1.029809	1.029809	NUM
cet-5081	60	67	1.449872	1.449872	NUM
cet-5081	60	68	0.984417	0.984417	NUM
cet-5081	60	69	0.854332	0.854332	NUM
cet-5081	60	70	0.992	0.992	NUM
cet-5081	60	71	0.924	0.924	NUM
cet-5081	60	72	0.9	0.9	NUM
cet-5081	61	1	313.05	313.05	NUM
cet-5081	61	2	1.007817	1.007817	NUM
cet-5081	61	3	1.63966	1.63966	NUM
cet-5081	61	4	0.995607	0.995607	NUM
cet-5081	61	5	0.800644	0.800644	NUM
cet-5081	61	6	0.999	0.999	NUM
cet-5081	61	7	0.9	0.9	NUM
cet-5081	61	8	1	1	NUM
cet-5081	61	9	311	311	NUM
cet-5081	61	10	1	1	NUM
cet-5081	61	11	1.905832	1.905832	NUM
cet-5081	61	12	1	1	NUM
cet-5081	61	13	0.734226	0.734226	NUM
cet-5081	61	14	1	1	NUM
cet-5081	61	15	0.874	0.874	NUM
cet-5081	61	16	(	(	PUNCT
cet-5081	61	17	a	a	X
cet-5081	61	18	)	)	PUNCT
cet-5081	61	19	activity	activity	NOUN
cet-5081	61	20	coefficients	coefficient	NOUN
cet-5081	61	21	calculated	calculate	VERB
cet-5081	61	22	using	use	VERB
cet-5081	61	23	sigma	sigma	ADJ
cet-5081	61	24	profiles	profile	NOUN
cet-5081	61	25	obtained	obtain	VERB
cet-5081	61	26	from	from	ADP
cet-5081	61	27	mopac	mopac	PROPN
cet-5081	61	28	.	.	PUNCT
cet-5081	62	1	(	(	PUNCT
cet-5081	62	2	b	b	X
cet-5081	62	3	)	)	PUNCT
cet-5081	62	4	activity	activity	NOUN
cet-5081	62	5	coefficients	coefficient	NOUN
cet-5081	62	6	calculated	calculate	VERB
cet-5081	62	7	using	use	VERB
cet-5081	62	8	sigma	sigma	ADJ
cet-5081	62	9	profiles	profile	NOUN
cet-5081	62	10	from	from	ADP
cet-5081	62	11	jcosmo	jcosmo	NOUN
cet-5081	62	12	.	.	PUNCT
cet-5081	63	1	the	the	DET
cet-5081	63	2	experimental	experimental	ADJ
cet-5081	63	3	activity	activity	NOUN
cet-5081	63	4	coefficients	coefficient	NOUN
cet-5081	63	5	were	be	AUX
cet-5081	63	6	compared	compare	VERB
cet-5081	63	7	with	with	ADP
cet-5081	63	8	the	the	DET
cet-5081	63	9	values	value	NOUN
cet-5081	63	10	calculated	calculate	VERB
cet-5081	63	11	using	use	VERB
cet-5081	63	12	sigma	sigma	ADJ
cet-5081	63	13	profiles	profile	NOUN
cet-5081	63	14	obtained	obtain	VERB
cet-5081	63	15	from	from	ADP
cet-5081	63	16	mopac	mopac	NOUN
cet-5081	63	17	software	software	NOUN
cet-5081	63	18	(	(	PUNCT
cet-5081	63	19	borghi	borghi	PROPN
cet-5081	63	20	et	et	PROPN
cet-5081	63	21	al	al	PROPN
cet-5081	63	22	.	.	PROPN
cet-5081	63	23	,	,	PUNCT
cet-5081	63	24	2012	2012	NUM
cet-5081	63	25	)	)	PUNCT
cet-5081	63	26	and	and	CCONJ
cet-5081	63	27	with	with	ADP
cet-5081	63	28	the	the	DET
cet-5081	63	29	values	value	NOUN
cet-5081	63	30	obtained	obtain	VERB
cet-5081	63	31	from	from	ADP
cet-5081	63	32	the	the	DET
cet-5081	63	33	computer	computer	NOUN
cet-5081	63	34	program	program	NOUN
cet-5081	63	35	known	know	VERB
cet-5081	63	36	as	as	ADP
cet-5081	63	37	jcosmo	jcosmo	NOUN
cet-5081	63	38	,	,	PUNCT
cet-5081	63	39	which	which	PRON
cet-5081	63	40	uses	use	VERB
cet-5081	63	41	the	the	DET
cet-5081	63	42	sigma	sigma	PROPN
cet-5081	63	43	profile	profile	NOUN
cet-5081	63	44	from	from	ADP
cet-5081	63	45	vt-2005	vt-2005	NOUN
cet-5081	63	46	database	database	NOUN
cet-5081	63	47	.	.	PUNCT
cet-5081	64	1	this	this	DET
cet-5081	64	2	software	software	NOUN
cet-5081	64	3	was	be	AUX
cet-5081	64	4	developed	develop	VERB
cet-5081	64	5	by	by	ADP
cet-5081	64	6	gerber	gerber	PROPN
cet-5081	64	7	and	and	CCONJ
cet-5081	64	8	soares	soare	NOUN
cet-5081	64	9	(	(	PUNCT
cet-5081	64	10	2010	2010	NUM
cet-5081	64	11	)	)	PUNCT
cet-5081	64	12	.	.	PUNCT
cet-5081	65	1	analyzing	analyze	VERB
cet-5081	65	2	the	the	DET
cet-5081	65	3	results	result	NOUN
cet-5081	65	4	is	be	AUX
cet-5081	65	5	possible	possible	ADJ
cet-5081	65	6	to	to	PART
cet-5081	65	7	see	see	VERB
cet-5081	65	8	that	that	DET
cet-5081	65	9	cosmo	cosmo	NOUN
cet-5081	65	10	-	-	PUNCT
cet-5081	65	11	sac	sac	NOUN
cet-5081	65	12	model	model	NOUN
cet-5081	65	13	did	do	AUX
cet-5081	65	14	not	not	PART
cet-5081	65	15	correctly	correctly	ADV
cet-5081	65	16	predict	predict	VERB
cet-5081	65	17	the	the	DET
cet-5081	65	18	activity	activity	NOUN
cet-5081	65	19	coefficients	coefficient	NOUN
cet-5081	65	20	of	of	ADP
cet-5081	65	21	the	the	DET
cet-5081	65	22	analyzed	analyze	VERB
cet-5081	65	23	mixture	mixture	NOUN
cet-5081	65	24	,	,	PUNCT
cet-5081	65	25	for	for	ADP
cet-5081	65	26	both	both	DET
cet-5081	65	27	methods	method	NOUN
cet-5081	65	28	used	use	VERB
cet-5081	65	29	to	to	PART
cet-5081	65	30	obtain	obtain	VERB
cet-5081	65	31	sigma	sigma	ADJ
cet-5081	65	32	profiles	profile	NOUN
cet-5081	65	33	.	.	PUNCT
cet-5081	66	1	these	these	PRON
cet-5081	66	2	,	,	PUNCT
cet-5081	66	3	in	in	ADP
cet-5081	66	4	turn	turn	NOUN
cet-5081	66	5	,	,	PUNCT
cet-5081	66	6	showed	show	VERB
cet-5081	66	7	a	a	DET
cet-5081	66	8	very	very	ADV
cet-5081	66	9	similar	similar	ADJ
cet-5081	66	10	behavior	behavior	NOUN
cet-5081	66	11	.	.	PUNCT
cet-5081	67	1	mean	mean	VERB
cet-5081	67	2	absolute	absolute	ADJ
cet-5081	67	3	deviations	deviation	NOUN
cet-5081	67	4	between	between	ADP
cet-5081	67	5	γ	γ	NOUN
cet-5081	67	6	and	and	CCONJ
cet-5081	67	7	γ	γ	NOUN
cet-5081	67	8	were	be	AUX
cet-5081	67	9	calculated	calculate	VERB
cet-5081	67	10	for	for	ADP
cet-5081	67	11	both	both	DET
cet-5081	67	12	methods	method	NOUN
cet-5081	67	13	and	and	CCONJ
cet-5081	67	14	,	,	PUNCT
cet-5081	67	15	between	between	ADP
cet-5081	67	16	the	the	DET
cet-5081	67	17	activity	activity	NOUN
cet-5081	67	18	coefficients	coefficient	NOUN
cet-5081	67	19	obtained	obtain	VERB
cet-5081	67	20	by	by	ADP
cet-5081	67	21	mopac	mopac	NOUN
cet-5081	67	22	and	and	CCONJ
cet-5081	67	23	the	the	DET
cet-5081	67	24	jcosmo	jcosmo	PROPN
cet-5081	67	25	.	.	PUNCT
cet-5081	68	1	table	table	NOUN
cet-5081	68	2	2	2	NUM
cet-5081	68	3	shows	show	VERB
cet-5081	68	4	the	the	DET
cet-5081	68	5	results	result	NOUN
cet-5081	68	6	.	.	PUNCT
cet-5081	69	1	table	table	NOUN
cet-5081	69	2	2	2	NUM
cet-5081	69	3	:	:	PUNCT
cet-5081	69	4	mean	mean	VERB
cet-5081	69	5	absolute	absolute	ADJ
cet-5081	69	6	deviation	deviation	NOUN
cet-5081	69	7	between	between	ADP
cet-5081	69	8	experimental	experimental	ADJ
cet-5081	69	9	and	and	CCONJ
cet-5081	69	10	calculated	calculate	VERB
cet-5081	69	11	activity	activity	NOUN
cet-5081	69	12	coefficients	coefficient	NOUN
cet-5081	69	13	.	.	PUNCT
cet-5081	70	1	mad(%	mad(%	NOUN
cet-5081	70	2	)	)	PUNCT
cet-5081	70	3	γ	γ	PROPN
cet-5081	70	4	γ	γ	X
cet-5081	70	5	(	(	PUNCT
cet-5081	70	6	mopac	mopac	NOUN
cet-5081	70	7	)	)	PUNCT
cet-5081	70	8	γ	γ	PROPN
cet-5081	70	9	(	(	PUNCT
cet-5081	70	10	jcosmo	jcosmo	PROPN
cet-5081	70	11	)	)	PUNCT
cet-5081	70	12	γ	γ	PROPN
cet-5081	70	13	31.3	31.3	NUM
cet-5081	70	14	27.7	27.7	NUM
cet-5081	70	15	γ	γ	X
cet-5081	70	16	(	(	PUNCT
cet-5081	70	17	mopac	mopac	NOUN
cet-5081	70	18	)	)	PUNCT
cet-5081	70	19	3.7	3.7	NUM
cet-5081	70	20	γ	γ	PROPN
cet-5081	70	21	γ	γ	X
cet-5081	70	22	(	(	PUNCT
cet-5081	70	23	mopac	mopac	NOUN
cet-5081	70	24	)	)	PUNCT
cet-5081	70	25	γ	γ	PROPN
cet-5081	70	26	(	(	PUNCT
cet-5081	70	27	jcosmo	jcosmo	PROPN
cet-5081	70	28	)	)	PUNCT
cet-5081	70	29	γ	γ	PROPN
cet-5081	70	30	33.4	33.4	NUM
cet-5081	70	31	29.6	29.6	NUM
cet-5081	70	32	γ	γ	NOUN
cet-5081	70	33	(	(	PUNCT
cet-5081	70	34	mopac	mopac	NOUN
cet-5081	70	35	)	)	PUNCT
cet-5081	70	36	3.8	3.8	NUM
cet-5081	70	37	1881	1881	NUM
cet-5081	70	38	as	as	SCONJ
cet-5081	70	39	is	be	AUX
cet-5081	70	40	possible	possible	ADJ
cet-5081	70	41	to	to	PART
cet-5081	70	42	verify	verify	VERB
cet-5081	70	43	,	,	PUNCT
cet-5081	70	44	the	the	DET
cet-5081	70	45	mad	mad	ADJ
cet-5081	70	46	between	between	ADP
cet-5081	70	47	the	the	DET
cet-5081	70	48	experimental	experimental	ADJ
cet-5081	70	49	and	and	CCONJ
cet-5081	70	50	calculated	calculate	VERB
cet-5081	70	51	by	by	ADP
cet-5081	70	52	both	both	DET
cet-5081	70	53	methods	method	NOUN
cet-5081	70	54	values	value	NOUN
cet-5081	70	55	,	,	PUNCT
cet-5081	70	56	are	be	AUX
cet-5081	70	57	above	above	ADP
cet-5081	70	58	27	27	NUM
cet-5081	70	59	%	%	NOUN
cet-5081	70	60	,	,	PUNCT
cet-5081	70	61	which	which	PRON
cet-5081	70	62	is	be	AUX
cet-5081	70	63	a	a	DET
cet-5081	70	64	very	very	ADV
cet-5081	70	65	high	high	ADJ
cet-5081	70	66	deviation	deviation	NOUN
cet-5081	70	67	.	.	PUNCT
cet-5081	71	1	the	the	DET
cet-5081	71	2	deviation	deviation	NOUN
cet-5081	71	3	shows	show	VERB
cet-5081	71	4	that	that	SCONJ
cet-5081	71	5	this	this	DET
cet-5081	71	6	methodology	methodology	NOUN
cet-5081	71	7	was	be	AUX
cet-5081	71	8	not	not	PART
cet-5081	71	9	able	able	ADJ
cet-5081	71	10	to	to	PART
cet-5081	71	11	predict	predict	VERB
cet-5081	71	12	accurately	accurately	ADV
cet-5081	71	13	the	the	DET
cet-5081	71	14	experimental	experimental	ADJ
cet-5081	71	15	data	datum	NOUN
cet-5081	71	16	.	.	PUNCT
cet-5081	72	1	however	however	ADV
cet-5081	72	2	,	,	PUNCT
cet-5081	72	3	it	it	PRON
cet-5081	72	4	is	be	AUX
cet-5081	72	5	verified	verify	VERB
cet-5081	72	6	a	a	DET
cet-5081	72	7	reasonable	reasonable	ADJ
cet-5081	72	8	similarity	similarity	NOUN
cet-5081	72	9	between	between	ADP
cet-5081	72	10	the	the	DET
cet-5081	72	11	values	value	NOUN
cet-5081	72	12	of	of	ADP
cet-5081	72	13	the	the	DET
cet-5081	72	14	activity	activity	NOUN
cet-5081	72	15	coefficients	coefficient	NOUN
cet-5081	72	16	calculated	calculate	VERB
cet-5081	72	17	by	by	ADP
cet-5081	72	18	the	the	DET
cet-5081	72	19	mopac	mopac	NOUN
cet-5081	72	20	and	and	CCONJ
cet-5081	72	21	the	the	DET
cet-5081	72	22	jcosmo	jcosmo	PROPN
cet-5081	72	23	methods	method	NOUN
cet-5081	72	24	,	,	PUNCT
cet-5081	72	25	which	which	PRON
cet-5081	72	26	shows	show	VERB
cet-5081	72	27	that	that	SCONJ
cet-5081	72	28	the	the	DET
cet-5081	72	29	mopac	mopac	PROPN
cet-5081	72	30	software	software	NOUN
cet-5081	72	31	can	can	AUX
cet-5081	72	32	be	be	AUX
cet-5081	72	33	used	use	VERB
cet-5081	72	34	to	to	PART
cet-5081	72	35	obtain	obtain	VERB
cet-5081	72	36	the	the	DET
cet-5081	72	37	sigma	sigma	PROPN
cet-5081	72	38	profile	profile	NOUN
cet-5081	72	39	.	.	PUNCT
cet-5081	73	1	the	the	DET
cet-5081	73	2	method	method	NOUN
cet-5081	73	3	of	of	ADP
cet-5081	73	4	gibbs	gibbs	PROPN
cet-5081	73	5	energy	energy	NOUN
cet-5081	73	6	minimization	minimization	NOUN
cet-5081	73	7	was	be	AUX
cet-5081	73	8	used	use	VERB
cet-5081	73	9	to	to	PART
cet-5081	73	10	calculate	calculate	VERB
cet-5081	73	11	the	the	DET
cet-5081	73	12	phase	phase	NOUN
cet-5081	73	13	equilibrium	equilibrium	NOUN
cet-5081	73	14	of	of	ADP
cet-5081	73	15	binary	binary	ADJ
cet-5081	73	16	mixtures	mixture	NOUN
cet-5081	73	17	containing	contain	VERB
cet-5081	73	18	water	water	NOUN
cet-5081	73	19	,	,	PUNCT
cet-5081	73	20	methanol	methanol	NOUN
cet-5081	73	21	and	and	CCONJ
cet-5081	73	22	glycerol	glycerol	NOUN
cet-5081	73	23	.	.	PUNCT
cet-5081	74	1	the	the	DET
cet-5081	74	2	computational	computational	ADJ
cet-5081	74	3	tool	tool	NOUN
cet-5081	74	4	gams	gams	PROPN
cet-5081	74	5	/	/	SYM
cet-5081	74	6	conopt	conopt	PROPN
cet-5081	74	7	was	be	AUX
cet-5081	74	8	used	use	VERB
cet-5081	74	9	to	to	PART
cet-5081	74	10	implement	implement	VERB
cet-5081	74	11	the	the	DET
cet-5081	74	12	method	method	NOUN
cet-5081	74	13	of	of	ADP
cet-5081	74	14	minimization	minimization	NOUN
cet-5081	74	15	of	of	ADP
cet-5081	74	16	the	the	DET
cet-5081	74	17	gibbs	gibbs	PROPN
cet-5081	74	18	energy	energy	NOUN
cet-5081	74	19	for	for	ADP
cet-5081	74	20	the	the	DET
cet-5081	74	21	equilibrium	equilibrium	NOUN
cet-5081	74	22	calculation	calculation	NOUN
cet-5081	74	23	,	,	PUNCT
cet-5081	74	24	and	and	CCONJ
cet-5081	74	25	quickly	quickly	ADV
cet-5081	74	26	converged	converge	VERB
cet-5081	74	27	to	to	ADP
cet-5081	74	28	the	the	DET
cet-5081	74	29	solution	solution	NOUN
cet-5081	74	30	,	,	PUNCT
cet-5081	74	31	being	be	AUX
cet-5081	74	32	very	very	ADV
cet-5081	74	33	efficient	efficient	ADJ
cet-5081	74	34	.	.	PUNCT
cet-5081	75	1	results	result	NOUN
cet-5081	75	2	of	of	ADP
cet-5081	75	3	equilibrium	equilibrium	NOUN
cet-5081	75	4	calculation	calculation	NOUN
cet-5081	75	5	are	be	AUX
cet-5081	75	6	presented	present	VERB
cet-5081	75	7	in	in	ADP
cet-5081	75	8	figures	figure	NOUN
cet-5081	75	9	1	1	NUM
cet-5081	75	10	to	to	PART
cet-5081	75	11	3	3	NUM
cet-5081	75	12	.	.	PUNCT
cet-5081	76	1	the	the	DET
cet-5081	76	2	cosmo	cosmo	NOUN
cet-5081	76	3	-	-	PUNCT
cet-5081	76	4	sac	sac	NOUN
cet-5081	76	5	method	method	NOUN
cet-5081	76	6	was	be	AUX
cet-5081	76	7	performed	perform	VERB
cet-5081	76	8	using	use	VERB
cet-5081	76	9	both	both	PRON
cet-5081	76	10	sigma	sigma	ADJ
cet-5081	76	11	profiles	profile	NOUN
cet-5081	76	12	obtained	obtain	VERB
cet-5081	76	13	by	by	ADP
cet-5081	76	14	mopac	mopac	NOUN
cet-5081	76	15	and	and	CCONJ
cet-5081	76	16	vt-2005	vt-2005	NOUN
cet-5081	76	17	database	database	NOUN
cet-5081	76	18	,	,	PUNCT
cet-5081	76	19	obtained	obtain	VERB
cet-5081	76	20	by	by	ADP
cet-5081	76	21	dmol3	dmol3	NOUN
cet-5081	76	22	software	software	NOUN
cet-5081	76	23	.	.	PUNCT
cet-5081	77	1	furthermore	furthermore	ADV
cet-5081	77	2	,	,	PUNCT
cet-5081	77	3	the	the	DET
cet-5081	77	4	equilibrium	equilibrium	NOUN
cet-5081	77	5	was	be	AUX
cet-5081	77	6	also	also	ADV
cet-5081	77	7	calculated	calculate	VERB
cet-5081	77	8	using	use	VERB
cet-5081	77	9	raoult	raoult	NOUN
cet-5081	77	10	's	's	PART
cet-5081	77	11	law	law	NOUN
cet-5081	77	12	,	,	PUNCT
cet-5081	77	13	in	in	ADP
cet-5081	77	14	order	order	NOUN
cet-5081	77	15	to	to	PART
cet-5081	77	16	compare	compare	VERB
cet-5081	77	17	with	with	ADP
cet-5081	77	18	the	the	DET
cet-5081	77	19	results	result	NOUN
cet-5081	77	20	obtained	obtain	VERB
cet-5081	77	21	by	by	ADP
cet-5081	77	22	cosmo	cosmo	NOUN
cet-5081	77	23	-	-	PUNCT
cet-5081	77	24	sac	sac	NOUN
cet-5081	77	25	.	.	PUNCT
cet-5081	78	1	in	in	ADP
cet-5081	78	2	the	the	DET
cet-5081	78	3	case	case	NOUN
cet-5081	78	4	of	of	ADP
cet-5081	78	5	raoult	raoult	NOUN
cet-5081	78	6	's	's	PART
cet-5081	78	7	law	law	NOUN
cet-5081	78	8	,	,	PUNCT
cet-5081	78	9	it	it	PRON
cet-5081	78	10	is	be	AUX
cet-5081	78	11	considered	consider	VERB
cet-5081	78	12	that	that	SCONJ
cet-5081	78	13	both	both	DET
cet-5081	78	14	phases	phase	NOUN
cet-5081	78	15	are	be	AUX
cet-5081	78	16	ideal	ideal	ADJ
cet-5081	78	17	,	,	PUNCT
cet-5081	78	18	so	so	CCONJ
cet-5081	79	1	=	=	SYM
cet-5081	79	2	1	1	X
cet-5081	79	3	.	.	PUNCT
cet-5081	80	1	however	however	ADV
cet-5081	80	2	,	,	PUNCT
cet-5081	80	3	it	it	PRON
cet-5081	80	4	must	must	AUX
cet-5081	80	5	be	be	AUX
cet-5081	80	6	pointed	point	VERB
cet-5081	80	7	out	out	ADP
cet-5081	80	8	that	that	SCONJ
cet-5081	80	9	raoult	raoult	PROPN
cet-5081	80	10	’s	’s	PART
cet-5081	80	11	law	law	NOUN
cet-5081	80	12	was	be	AUX
cet-5081	80	13	used	use	VERB
cet-5081	80	14	only	only	ADV
cet-5081	80	15	because	because	SCONJ
cet-5081	80	16	it	it	PRON
cet-5081	80	17	is	be	AUX
cet-5081	80	18	the	the	DET
cet-5081	80	19	simplest	simple	ADJ
cet-5081	80	20	approximation	approximation	NOUN
cet-5081	80	21	possible	possible	ADJ
cet-5081	80	22	,	,	PUNCT
cet-5081	80	23	since	since	SCONJ
cet-5081	80	24	it	it	PRON
cet-5081	80	25	is	be	AUX
cet-5081	80	26	not	not	PART
cet-5081	80	27	adequate	adequate	ADJ
cet-5081	80	28	to	to	PART
cet-5081	80	29	represent	represent	VERB
cet-5081	80	30	strong	strong	ADJ
cet-5081	80	31	polar	polar	ADJ
cet-5081	80	32	components	component	NOUN
cet-5081	80	33	with	with	ADP
cet-5081	80	34	hydrogen	hydrogen	NOUN
cet-5081	80	35	bounds	bound	NOUN
cet-5081	80	36	such	such	ADJ
cet-5081	80	37	as	as	ADP
cet-5081	80	38	the	the	DET
cet-5081	80	39	ones	one	NOUN
cet-5081	80	40	considered	consider	VERB
cet-5081	80	41	in	in	ADP
cet-5081	80	42	this	this	DET
cet-5081	80	43	study	study	NOUN
cet-5081	80	44	.	.	PUNCT
cet-5081	81	1	figure	figure	NOUN
cet-5081	81	2	1	1	NUM
cet-5081	81	3	:	:	PUNCT
cet-5081	81	4	vapor	vapor	NOUN
cet-5081	81	5	-	-	PUNCT
cet-5081	81	6	liquid	liquid	NOUN
cet-5081	81	7	equilibrium	equilibrium	NOUN
cet-5081	81	8	to	to	ADP
cet-5081	81	9	binary	binary	ADJ
cet-5081	81	10	mixture	mixture	NOUN
cet-5081	81	11	of	of	ADP
cet-5081	81	12	water	water	NOUN
cet-5081	81	13	+	+	CCONJ
cet-5081	81	14	glycerol	glycerol	NOUN
cet-5081	81	15	.	.	PUNCT
cet-5081	82	1	experimental	experimental	ADJ
cet-5081	82	2	data	datum	NOUN
cet-5081	82	3	(	(	PUNCT
cet-5081	82	4	■	■	NOUN
cet-5081	82	5	)	)	PUNCT
cet-5081	82	6	(	(	PUNCT
cet-5081	82	7	soujanya	soujanya	PROPN
cet-5081	82	8	et	et	PROPN
cet-5081	82	9	al	al	PROPN
cet-5081	82	10	.	.	PROPN
cet-5081	82	11	,	,	PUNCT
cet-5081	82	12	2010	2010	NUM
cet-5081	82	13	)	)	PUNCT
cet-5081	82	14	,	,	PUNCT
cet-5081	82	15	raoult´s	raoult´s	NOUN
cet-5081	82	16	law	law	NOUN
cet-5081	82	17	(	(	PUNCT
cet-5081	82	18	—	—	PUNCT
cet-5081	82	19	—	—	PUNCT
cet-5081	82	20	)	)	PUNCT
cet-5081	82	21	,	,	PUNCT
cet-5081	82	22	mopac	mopac	X
cet-5081	82	23	(	(	PUNCT
cet-5081	82	24	⋅⋅⋅⋅⋅	⋅⋅⋅⋅⋅	PROPN
cet-5081	82	25	)	)	PUNCT
cet-5081	82	26	and	and	CCONJ
cet-5081	82	27	vt-2005	vt-2005	NOUN
cet-5081	82	28	(	(	PUNCT
cet-5081	82	29	—	—	PUNCT
cet-5081	82	30	—	—	PUNCT
cet-5081	82	31	)	)	PUNCT
cet-5081	82	32	.	.	PUNCT
cet-5081	83	1	p	p	X
cet-5081	84	1	=	=	PUNCT
cet-5081	84	2	14.19	14.19	NUM
cet-5081	84	3	kpa	kpa	NOUN
cet-5081	84	4	p	p	PROPN
cet-5081	84	5	=	=	PROPN
cet-5081	84	6	29.38	29.38	NUM
cet-5081	84	7	kpa	kpa	NOUN
cet-5081	84	8	p	p	PROPN
cet-5081	84	9	=	=	PROPN
cet-5081	84	10	41.54	41.54	NUM
cet-5081	84	11	kpa	kpa	NOUN
cet-5081	84	12	p	p	PROPN
cet-5081	84	13	=	=	PROPN
cet-5081	84	14	54.72	54.72	NUM
cet-5081	84	15	kpa	kpa	NOUN
cet-5081	84	16	p	p	PROPN
cet-5081	84	17	=	=	PROPN
cet-5081	84	18	63.84	63.84	NUM
cet-5081	84	19	kpa	kpa	PROPN
cet-5081	84	20	p	p	PROPN
cet-5081	84	21	=	=	PROPN
cet-5081	84	22	95.3	95.3	NUM
cet-5081	84	23	kpa	kpa	NOUN
cet-5081	84	24	320	320	NUM
cet-5081	84	25	340	340	NUM
cet-5081	84	26	360	360	NUM
cet-5081	84	27	380	380	NUM
cet-5081	84	28	400	400	NUM
cet-5081	84	29	420	420	NUM
cet-5081	84	30	440	440	NUM
cet-5081	84	31	460	460	NUM
cet-5081	84	32	480	480	NUM
cet-5081	84	33	500	500	NUM
cet-5081	84	34	0	0	NUM
cet-5081	84	35	%	%	NOUN
cet-5081	84	36	20	20	NUM
cet-5081	84	37	%	%	NOUN
cet-5081	84	38	40	40	NUM
cet-5081	84	39	%	%	NOUN
cet-5081	84	40	60	60	NUM
cet-5081	84	41	%	%	NOUN
cet-5081	84	42	80	80	NUM
cet-5081	84	43	%	%	NOUN
cet-5081	84	44	100	100	NUM
cet-5081	84	45	%	%	NOUN
cet-5081	84	46	t	t	NOUN
cet-5081	84	47	(	(	PUNCT
cet-5081	84	48	k	k	PROPN
cet-5081	84	49	)	)	PUNCT
cet-5081	84	50	xwater	xwater	PROPN
cet-5081	84	51	(	(	PUNCT
cet-5081	84	52	%	%	INTJ
cet-5081	84	53	)	)	PUNCT
cet-5081	84	54	1882	1882	NUM
cet-5081	84	55	figure	figure	NOUN
cet-5081	84	56	2	2	NUM
cet-5081	84	57	:	:	PUNCT
cet-5081	84	58	vapor	vapor	NOUN
cet-5081	84	59	-	-	PUNCT
cet-5081	84	60	liquid	liquid	NOUN
cet-5081	84	61	equilibrium	equilibrium	NOUN
cet-5081	84	62	to	to	ADP
cet-5081	84	63	binary	binary	ADJ
cet-5081	84	64	mixture	mixture	NOUN
cet-5081	84	65	of	of	ADP
cet-5081	84	66	methanol	methanol	NOUN
cet-5081	84	67	+	+	CCONJ
cet-5081	84	68	water	water	NOUN
cet-5081	84	69	.	.	PUNCT
cet-5081	85	1	experimental	experimental	ADJ
cet-5081	85	2	data	datum	NOUN
cet-5081	85	3	(	(	PUNCT
cet-5081	85	4	■	■	NOUN
cet-5081	85	5	)	)	PUNCT
cet-5081	85	6	(	(	PUNCT
cet-5081	85	7	soujanya	soujanya	PROPN
cet-5081	85	8	et	et	PROPN
cet-5081	85	9	al	al	PROPN
cet-5081	85	10	.	.	PROPN
cet-5081	85	11	,	,	PUNCT
cet-5081	85	12	2010	2010	NUM
cet-5081	85	13	)	)	PUNCT
cet-5081	85	14	,	,	PUNCT
cet-5081	85	15	raoult´s	raoult´s	NOUN
cet-5081	85	16	law	law	NOUN
cet-5081	85	17	(	(	PUNCT
cet-5081	85	18	—	—	PUNCT
cet-5081	85	19	—	—	PUNCT
cet-5081	85	20	)	)	PUNCT
cet-5081	85	21	,	,	PUNCT
cet-5081	85	22	mopac	mopac	X
cet-5081	85	23	(	(	PUNCT
cet-5081	85	24	⋅⋅⋅⋅⋅	⋅⋅⋅⋅⋅	PROPN
cet-5081	85	25	)	)	PUNCT
cet-5081	85	26	and	and	CCONJ
cet-5081	85	27	vt-2005	vt-2005	NOUN
cet-5081	85	28	(	(	PUNCT
cet-5081	85	29	—	—	PUNCT
cet-5081	85	30	—	—	PUNCT
cet-5081	85	31	)	)	PUNCT
cet-5081	85	32	.	.	PUNCT
cet-5081	86	1	figure	figure	VERB
cet-5081	86	2	3	3	NUM
cet-5081	86	3	:	:	PUNCT
cet-5081	86	4	vapor	vapor	NOUN
cet-5081	86	5	-	-	PUNCT
cet-5081	86	6	liquid	liquid	NOUN
cet-5081	86	7	equilibrium	equilibrium	NOUN
cet-5081	86	8	to	to	ADP
cet-5081	86	9	binary	binary	ADJ
cet-5081	86	10	mixture	mixture	NOUN
cet-5081	86	11	of	of	ADP
cet-5081	86	12	methanol	methanol	NOUN
cet-5081	86	13	+	+	CCONJ
cet-5081	86	14	glycerol	glycerol	NOUN
cet-5081	86	15	.	.	PUNCT
cet-5081	87	1	experimental	experimental	ADJ
cet-5081	87	2	data	datum	NOUN
cet-5081	87	3	(	(	PUNCT
cet-5081	87	4	■	■	NOUN
cet-5081	87	5	)	)	PUNCT
cet-5081	87	6	(	(	PUNCT
cet-5081	87	7	soujanya	soujanya	PROPN
cet-5081	87	8	et	et	PROPN
cet-5081	87	9	al	al	PROPN
cet-5081	87	10	.	.	PROPN
cet-5081	87	11	,	,	PUNCT
cet-5081	87	12	2010	2010	NUM
cet-5081	87	13	)	)	PUNCT
cet-5081	87	14	,	,	PUNCT
cet-5081	87	15	raoult´s	raoult´s	NOUN
cet-5081	87	16	law	law	NOUN
cet-5081	87	17	(	(	PUNCT
cet-5081	87	18	—	—	PUNCT
cet-5081	87	19	—	—	PUNCT
cet-5081	87	20	)	)	PUNCT
cet-5081	87	21	,	,	PUNCT
cet-5081	87	22	mopac	mopac	X
cet-5081	87	23	(	(	PUNCT
cet-5081	87	24	⋅⋅⋅⋅⋅	⋅⋅⋅⋅⋅	PROPN
cet-5081	87	25	)	)	PUNCT
cet-5081	87	26	and	and	CCONJ
cet-5081	87	27	vt-2005	vt-2005	NOUN
cet-5081	87	28	(	(	PUNCT
cet-5081	87	29	—	—	PUNCT
cet-5081	87	30	—	—	PUNCT
cet-5081	87	31	)	)	PUNCT
cet-5081	87	32	.	.	PUNCT
cet-5081	88	1	analyzing	analyze	VERB
cet-5081	88	2	figures	figure	NOUN
cet-5081	88	3	1	1	NUM
cet-5081	88	4	to	to	PART
cet-5081	88	5	3	3	NUM
cet-5081	88	6	is	be	AUX
cet-5081	88	7	possible	possible	ADJ
cet-5081	88	8	to	to	PART
cet-5081	88	9	see	see	VERB
cet-5081	88	10	that	that	SCONJ
cet-5081	88	11	the	the	DET
cet-5081	88	12	curves	curve	NOUN
cet-5081	88	13	of	of	ADP
cet-5081	88	14	the	the	DET
cet-5081	88	15	cosmo	cosmo	NOUN
cet-5081	88	16	-	-	PUNCT
cet-5081	88	17	sac	sac	NOUN
cet-5081	88	18	model	model	NOUN
cet-5081	88	19	have	have	VERB
cet-5081	88	20	similar	similar	ADJ
cet-5081	88	21	behavior	behavior	NOUN
cet-5081	88	22	to	to	ADP
cet-5081	88	23	the	the	DET
cet-5081	88	24	experimental	experimental	ADJ
cet-5081	88	25	data	datum	NOUN
cet-5081	88	26	,	,	PUNCT
cet-5081	88	27	however	however	ADV
cet-5081	88	28	,	,	PUNCT
cet-5081	88	29	the	the	DET
cet-5081	88	30	deviations	deviation	NOUN
cet-5081	88	31	obtained	obtain	VERB
cet-5081	88	32	are	be	AUX
cet-5081	88	33	high	high	ADJ
cet-5081	88	34	in	in	ADP
cet-5081	88	35	most	most	ADJ
cet-5081	88	36	of	of	ADP
cet-5081	88	37	the	the	DET
cet-5081	88	38	studied	study	VERB
cet-5081	88	39	systems	system	NOUN
cet-5081	88	40	.	.	PUNCT
cet-5081	89	1	the	the	DET
cet-5081	89	2	mean	mean	ADJ
cet-5081	89	3	absolute	absolute	ADJ
cet-5081	89	4	deviations	deviation	NOUN
cet-5081	89	5	between	between	ADP
cet-5081	89	6	the	the	DET
cet-5081	89	7	experimental	experimental	ADJ
cet-5081	89	8	and	and	CCONJ
cet-5081	89	9	calculated	calculated	ADJ
cet-5081	89	10	mole	mole	NOUN
cet-5081	89	11	fractions	fraction	NOUN
cet-5081	89	12	using	use	VERB
cet-5081	89	13	the	the	DET
cet-5081	89	14	method	method	NOUN
cet-5081	89	15	cosmo	cosmo	NOUN
cet-5081	89	16	-	-	PUNCT
cet-5081	89	17	sac	sac	NOUN
cet-5081	89	18	with	with	ADP
cet-5081	89	19	sigma	sigma	NOUN
cet-5081	89	20	profiles	profile	NOUN
cet-5081	89	21	obtained	obtain	VERB
cet-5081	89	22	by	by	ADP
cet-5081	89	23	mopac	mopac	NOUN
cet-5081	89	24	and	and	CCONJ
cet-5081	89	25	vt-2005	vt-2005	NOUN
cet-5081	89	26	database	database	NOUN
cet-5081	89	27	,	,	PUNCT
cet-5081	89	28	and	and	CCONJ
cet-5081	89	29	the	the	DET
cet-5081	89	30	molar	molar	ADJ
cet-5081	89	31	fractions	fraction	NOUN
cet-5081	89	32	obtained	obtain	VERB
cet-5081	89	33	using	use	VERB
cet-5081	89	34	raoult	raoult	NOUN
cet-5081	89	35	's	's	PART
cet-5081	89	36	law	law	NOUN
cet-5081	89	37	were	be	AUX
cet-5081	89	38	calculated	calculate	VERB
cet-5081	89	39	.	.	PUNCT
cet-5081	90	1	table	table	NOUN
cet-5081	90	2	3	3	NUM
cet-5081	90	3	shows	show	VERB
cet-5081	90	4	these	these	DET
cet-5081	90	5	values	value	NOUN
cet-5081	90	6	.	.	PUNCT
cet-5081	91	1	p	p	X
cet-5081	92	1	=	=	PUNCT
cet-5081	92	2	15.19	15.19	NUM
cet-5081	92	3	kpa	kpa	NOUN
cet-5081	92	4	p	p	PROPN
cet-5081	92	5	=	=	PROPN
cet-5081	92	6	29.38	29.38	NUM
cet-5081	92	7	kpa	kpa	NOUN
cet-5081	92	8	p	p	PROPN
cet-5081	92	9	=	=	PROPN
cet-5081	92	10	42.66	42.66	NUM
cet-5081	92	11	kpa	kpa	PROPN
cet-5081	92	12	p	p	PROPN
cet-5081	92	13	=	=	PROPN
cet-5081	92	14	56.03	56.03	NUM
cet-5081	92	15	kpa	kpa	NOUN
cet-5081	92	16	p	p	PROPN
cet-5081	92	17	=	=	PROPN
cet-5081	92	18	67.38	67.38	NUM
cet-5081	92	19	kpa	kpa	NOUN
cet-5081	92	20	p	p	PROPN
cet-5081	92	21	=	=	PROPN
cet-5081	92	22	95.3	95.3	NUM
cet-5081	92	23	kpa	kpa	NOUN
cet-5081	92	24	290	290	NUM
cet-5081	92	25	300	300	NUM
cet-5081	92	26	310	310	NUM
cet-5081	92	27	320	320	NUM
cet-5081	92	28	330	330	NUM
cet-5081	92	29	340	340	NUM
cet-5081	92	30	350	350	NUM
cet-5081	92	31	360	360	NUM
cet-5081	92	32	370	370	NUM
cet-5081	92	33	0	0	NUM
cet-5081	92	34	%	%	NOUN
cet-5081	92	35	20	20	NUM
cet-5081	92	36	%	%	NOUN
cet-5081	92	37	40	40	NUM
cet-5081	92	38	%	%	NOUN
cet-5081	92	39	60	60	NUM
cet-5081	92	40	%	%	NOUN
cet-5081	92	41	80	80	NUM
cet-5081	92	42	%	%	NOUN
cet-5081	92	43	100	100	NUM
cet-5081	92	44	%	%	NOUN
cet-5081	92	45	t	t	NOUN
cet-5081	92	46	(	(	PUNCT
cet-5081	92	47	k	k	PROPN
cet-5081	92	48	)	)	PUNCT
cet-5081	92	49	xmethanol	xmethanol	NOUN
cet-5081	92	50	(	(	PUNCT
cet-5081	92	51	%	%	NOUN
cet-5081	92	52	)	)	PUNCT
cet-5081	93	1	p	p	NOUN
cet-5081	93	2	=	=	PUNCT
cet-5081	93	3	45.3	45.3	NUM
cet-5081	93	4	kpa	kpa	NOUN
cet-5081	93	5	p	p	PROPN
cet-5081	93	6	=	=	PROPN
cet-5081	93	7	32.02	32.02	NUM
cet-5081	93	8	kpa	kpa	PROPN
cet-5081	93	9	310	310	NUM
cet-5081	93	10	320	320	NUM
cet-5081	93	11	330	330	NUM
cet-5081	93	12	340	340	NUM
cet-5081	93	13	350	350	NUM
cet-5081	93	14	360	360	NUM
cet-5081	93	15	370	370	NUM
cet-5081	93	16	380	380	NUM
cet-5081	93	17	0	0	NUM
cet-5081	93	18	%	%	NOUN
cet-5081	93	19	20	20	NUM
cet-5081	93	20	%	%	NOUN
cet-5081	93	21	40	40	NUM
cet-5081	93	22	%	%	NOUN
cet-5081	93	23	60	60	NUM
cet-5081	93	24	%	%	NOUN
cet-5081	93	25	80	80	NUM
cet-5081	93	26	%	%	NOUN
cet-5081	93	27	100	100	NUM
cet-5081	93	28	%	%	NOUN
cet-5081	93	29	t	t	NOUN
cet-5081	93	30	(	(	PUNCT
cet-5081	93	31	k	k	PROPN
cet-5081	93	32	)	)	PUNCT
cet-5081	93	33	xmethanol	xmethanol	NOUN
cet-5081	93	34	(	(	PUNCT
cet-5081	93	35	%	%	INTJ
cet-5081	93	36	)	)	PUNCT
cet-5081	93	37	1883	1883	NUM
cet-5081	93	38	table	table	NOUN
cet-5081	93	39	3	3	NUM
cet-5081	93	40	:	:	PUNCT
cet-5081	93	41	mean	mean	VERB
cet-5081	93	42	absolute	absolute	ADJ
cet-5081	93	43	deviation	deviation	NOUN
cet-5081	93	44	obtained	obtain	VERB
cet-5081	93	45	by	by	ADP
cet-5081	93	46	gibbs	gibbs	PROPN
cet-5081	93	47	energy	energy	PROPN
cet-5081	93	48	minimization	minimization	NOUN
cet-5081	93	49	.	.	PUNCT
cet-5081	94	1	mad(%	mad(%	NOUN
cet-5081	94	2	)	)	PUNCT
cet-5081	94	3	mopac	mopac	PROPN
cet-5081	94	4	vt-2005	vt-2005	PROPN
cet-5081	94	5	raoult	raoult	VERB
cet-5081	94	6	methanol	methanol	NOUN
cet-5081	94	7	+	+	CCONJ
cet-5081	94	8	water	water	NOUN
cet-5081	94	9	1.55	1.55	NUM
cet-5081	94	10	2.22	2.22	NUM
cet-5081	94	11	10.00	10.00	NUM
cet-5081	94	12	water	water	NOUN
cet-5081	94	13	+	+	CCONJ
cet-5081	94	14	glycerol	glycerol	NOUN
cet-5081	94	15	7.96	7.96	NUM
cet-5081	94	16	8.48	8.48	NUM
cet-5081	94	17	6.92	6.92	NUM
cet-5081	94	18	methanol	methanol	NOUN
cet-5081	94	19	+	+	NOUN
cet-5081	94	20	glycerol	glycerol	NOUN
cet-5081	94	21	7.79	7.79	NUM
cet-5081	94	22	6.84	6.84	NUM
cet-5081	94	23	5.42	5.42	NUM
cet-5081	94	24	analyzing	analyzing	NOUN
cet-5081	94	25	table	table	NOUN
cet-5081	94	26	3	3	NUM
cet-5081	94	27	,	,	PUNCT
cet-5081	94	28	it	it	PRON
cet-5081	94	29	is	be	AUX
cet-5081	94	30	possible	possible	ADJ
cet-5081	94	31	to	to	PART
cet-5081	94	32	see	see	VERB
cet-5081	94	33	that	that	SCONJ
cet-5081	94	34	the	the	DET
cet-5081	94	35	mean	mean	ADJ
cet-5081	94	36	absolute	absolute	ADJ
cet-5081	94	37	deviations	deviation	NOUN
cet-5081	94	38	obtained	obtain	VERB
cet-5081	94	39	for	for	ADP
cet-5081	94	40	the	the	DET
cet-5081	94	41	mixture	mixture	NOUN
cet-5081	94	42	methanol	methanol	NOUN
cet-5081	94	43	+	+	CCONJ
cet-5081	94	44	water	water	NOUN
cet-5081	94	45	using	use	VERB
cet-5081	94	46	the	the	DET
cet-5081	94	47	cosmo	cosmo	NOUN
cet-5081	94	48	-	-	PUNCT
cet-5081	94	49	sac	sac	NOUN
cet-5081	94	50	model	model	NOUN
cet-5081	94	51	are	be	AUX
cet-5081	94	52	satisfactory	satisfactory	ADJ
cet-5081	94	53	,	,	PUNCT
cet-5081	94	54	but	but	CCONJ
cet-5081	94	55	for	for	ADP
cet-5081	94	56	water	water	NOUN
cet-5081	94	57	+	+	CCONJ
cet-5081	94	58	glycerol	glycerol	NOUN
cet-5081	94	59	and	and	CCONJ
cet-5081	94	60	methanol	methanol	NOUN
cet-5081	94	61	+	+	CCONJ
cet-5081	94	62	glycerol	glycerol	NOUN
cet-5081	94	63	the	the	DET
cet-5081	94	64	deviations	deviation	NOUN
cet-5081	94	65	are	be	AUX
cet-5081	94	66	higher	high	ADJ
cet-5081	94	67	,	,	PUNCT
cet-5081	94	68	for	for	ADP
cet-5081	94	69	all	all	DET
cet-5081	94	70	models	model	NOUN
cet-5081	94	71	.	.	PUNCT
cet-5081	95	1	this	this	PRON
cet-5081	95	2	may	may	AUX
cet-5081	95	3	be	be	AUX
cet-5081	95	4	due	due	ADJ
cet-5081	95	5	to	to	ADP
cet-5081	95	6	the	the	DET
cet-5081	95	7	higher	high	ADJ
cet-5081	95	8	boiling	boiling	NOUN
cet-5081	95	9	point	point	NOUN
cet-5081	95	10	of	of	ADP
cet-5081	95	11	glycerol	glycerol	NOUN
cet-5081	95	12	compared	compare	VERB
cet-5081	95	13	to	to	ADP
cet-5081	95	14	the	the	DET
cet-5081	95	15	others	other	NOUN
cet-5081	95	16	and	and	CCONJ
cet-5081	95	17	the	the	DET
cet-5081	95	18	values	value	NOUN
cet-5081	95	19	used	use	VERB
cet-5081	95	20	for	for	ADP
cet-5081	95	21	the	the	DET
cet-5081	95	22	saturation	saturation	NOUN
cet-5081	95	23	pressure	pressure	NOUN
cet-5081	95	24	of	of	ADP
cet-5081	95	25	glycerol	glycerol	NOUN
cet-5081	95	26	,	,	PUNCT
cet-5081	95	27	but	but	CCONJ
cet-5081	95	28	the	the	DET
cet-5081	95	29	results	result	NOUN
cet-5081	95	30	for	for	ADP
cet-5081	95	31	cosmo	cosmo	NOUN
cet-5081	95	32	-	-	PUNCT
cet-5081	95	33	sac	sac	NOUN
cet-5081	95	34	were	be	AUX
cet-5081	95	35	even	even	ADV
cet-5081	95	36	worse	bad	ADJ
cet-5081	95	37	than	than	ADP
cet-5081	95	38	using	use	VERB
cet-5081	95	39	the	the	DET
cet-5081	95	40	simplest	simple	ADJ
cet-5081	95	41	model	model	NOUN
cet-5081	95	42	(	(	PUNCT
cet-5081	95	43	raoult	raoult	NOUN
cet-5081	95	44	)	)	PUNCT
cet-5081	95	45	.	.	PUNCT
cet-5081	96	1	4	4	X
cet-5081	96	2	.	.	X
cet-5081	96	3	conclusions	conclusion	NOUN
cet-5081	96	4	this	this	DET
cet-5081	96	5	paper	paper	NOUN
cet-5081	96	6	uses	use	VERB
cet-5081	96	7	a	a	DET
cet-5081	96	8	new	new	ADJ
cet-5081	96	9	approach	approach	NOUN
cet-5081	96	10	to	to	PART
cet-5081	96	11	phase	phase	VERB
cet-5081	96	12	equilibrium	equilibrium	NOUN
cet-5081	96	13	calculation	calculation	NOUN
cet-5081	96	14	,	,	PUNCT
cet-5081	96	15	which	which	PRON
cet-5081	96	16	is	be	AUX
cet-5081	96	17	very	very	ADV
cet-5081	96	18	promising	promising	ADJ
cet-5081	96	19	,	,	PUNCT
cet-5081	96	20	the	the	DET
cet-5081	96	21	cosmo	cosmo	NOUN
cet-5081	96	22	-	-	PUNCT
cet-5081	96	23	sac	sac	NOUN
cet-5081	96	24	method	method	NOUN
cet-5081	96	25	.	.	PUNCT
cet-5081	97	1	while	while	SCONJ
cet-5081	97	2	very	very	ADV
cet-5081	97	3	promising	promising	ADJ
cet-5081	97	4	,	,	PUNCT
cet-5081	97	5	it	it	PRON
cet-5081	97	6	needs	need	VERB
cet-5081	97	7	refinements	refinement	NOUN
cet-5081	97	8	,	,	PUNCT
cet-5081	97	9	as	as	SCONJ
cet-5081	97	10	it	it	PRON
cet-5081	97	11	was	be	AUX
cet-5081	97	12	not	not	PART
cet-5081	97	13	found	find	VERB
cet-5081	97	14	to	to	PART
cet-5081	97	15	be	be	AUX
cet-5081	97	16	completely	completely	ADV
cet-5081	97	17	accurate	accurate	ADJ
cet-5081	97	18	in	in	ADP
cet-5081	97	19	predicting	predict	VERB
cet-5081	97	20	the	the	DET
cet-5081	97	21	activity	activity	NOUN
cet-5081	97	22	coefficient	coefficient	NOUN
cet-5081	97	23	of	of	ADP
cet-5081	97	24	components	component	NOUN
cet-5081	97	25	present	present	ADJ
cet-5081	97	26	in	in	ADP
cet-5081	97	27	a	a	DET
cet-5081	97	28	binary	binary	ADJ
cet-5081	97	29	mixture	mixture	NOUN
cet-5081	97	30	and	and	CCONJ
cet-5081	97	31	deviations	deviation	NOUN
cet-5081	97	32	presented	present	VERB
cet-5081	97	33	in	in	ADP
cet-5081	97	34	vaporliquid	vaporliquid	ADJ
cet-5081	97	35	equilibrium	equilibrium	NOUN
cet-5081	97	36	calculations	calculation	NOUN
cet-5081	97	37	were	be	AUX
cet-5081	97	38	relatively	relatively	ADV
cet-5081	97	39	high	high	ADJ
cet-5081	97	40	in	in	ADP
cet-5081	97	41	some	some	DET
cet-5081	97	42	cases	case	NOUN
cet-5081	97	43	.	.	PUNCT
cet-5081	98	1	the	the	DET
cet-5081	98	2	methodology	methodology	NOUN
cet-5081	98	3	used	use	VERB
cet-5081	98	4	to	to	PART
cet-5081	98	5	obtain	obtain	VERB
cet-5081	98	6	sigma	sigma	ADJ
cet-5081	98	7	profiles	profile	NOUN
cet-5081	98	8	to	to	PART
cet-5081	98	9	be	be	AUX
cet-5081	98	10	used	use	VERB
cet-5081	98	11	in	in	ADP
cet-5081	98	12	the	the	DET
cet-5081	98	13	cosmo	cosmo	NOUN
cet-5081	98	14	-	-	PUNCT
cet-5081	98	15	sac	sac	NOUN
cet-5081	98	16	model	model	NOUN
cet-5081	98	17	,	,	PUNCT
cet-5081	98	18	using	use	VERB
cet-5081	98	19	mopac	mopac	NOUN
cet-5081	98	20	software	software	NOUN
cet-5081	98	21	,	,	PUNCT
cet-5081	98	22	proved	prove	VERB
cet-5081	98	23	to	to	PART
cet-5081	98	24	be	be	AUX
cet-5081	98	25	a	a	DET
cet-5081	98	26	viable	viable	ADJ
cet-5081	98	27	alternative	alternative	NOUN
cet-5081	98	28	to	to	ADP
cet-5081	98	29	methods	method	NOUN
cet-5081	98	30	that	that	PRON
cet-5081	98	31	use	use	VERB
cet-5081	98	32	quantum	quantum	ADJ
cet-5081	98	33	chemistry	chemistry	NOUN
cet-5081	98	34	software	software	NOUN
cet-5081	98	35	,	,	PUNCT
cet-5081	98	36	whose	whose	DET
cet-5081	98	37	calculations	calculation	NOUN
cet-5081	98	38	are	be	AUX
cet-5081	98	39	much	much	ADV
cet-5081	98	40	slower	slow	ADJ
cet-5081	98	41	.	.	PUNCT
cet-5081	99	1	the	the	DET
cet-5081	99	2	differences	difference	NOUN
cet-5081	99	3	obtained	obtain	VERB
cet-5081	99	4	between	between	ADP
cet-5081	99	5	the	the	DET
cet-5081	99	6	sigma	sigma	PROPN
cet-5081	99	7	profiles	profile	NOUN
cet-5081	99	8	generated	generate	VERB
cet-5081	99	9	by	by	ADP
cet-5081	99	10	mopac	mopac	NOUN
cet-5081	99	11	and	and	CCONJ
cet-5081	99	12	those	those	PRON
cet-5081	99	13	obtained	obtain	VERB
cet-5081	99	14	with	with	ADP
cet-5081	99	15	dmol3	dmol3	NOUN
cet-5081	99	16	,	,	PUNCT
cet-5081	99	17	present	present	ADJ
cet-5081	99	18	in	in	ADP
cet-5081	99	19	vt-2005	vt-2005	NOUN
cet-5081	99	20	database	database	NOUN
cet-5081	99	21	and	and	CCONJ
cet-5081	99	22	in	in	ADP
cet-5081	99	23	the	the	DET
cet-5081	99	24	jcosmo	jcosmo	NOUN
cet-5081	99	25	,	,	PUNCT
cet-5081	99	26	were	be	AUX
cet-5081	99	27	relatively	relatively	ADV
cet-5081	99	28	low	low	ADJ
cet-5081	99	29	.	.	PUNCT
cet-5081	100	1	acknowledgements	acknowledgement	NOUN
cet-5081	100	2	the	the	DET
cet-5081	100	3	authors	author	NOUN
cet-5081	100	4	wish	wish	VERB
cet-5081	100	5	to	to	PART
cet-5081	100	6	acknowledge	acknowledge	VERB
cet-5081	100	7	capes	cape	NOUN
cet-5081	100	8	(	(	PUNCT
cet-5081	100	9	coordenação	coordenação	PROPN
cet-5081	100	10	de	de	PROPN
cet-5081	100	11	aperfeiçoamento	aperfeiçoamento	PROPN
cet-5081	100	12	de	de	X
cet-5081	100	13	pessoal	pessoal	PROPN
cet-5081	100	14	de	de	PROPN
cet-5081	100	15	nível	nível	PROPN
cet-5081	100	16	superior	superior	ADJ
cet-5081	100	17	)	)	PUNCT
cet-5081	100	18	for	for	ADP
cet-5081	100	19	the	the	DET
cet-5081	100	20	financial	financial	ADJ
cet-5081	100	21	support	support	NOUN
cet-5081	100	22	.	.	PUNCT
cet-5081	101	1	references	reference	NOUN
cet-5081	101	2	borghi	borghi	PROPN
cet-5081	101	3	,	,	PUNCT
cet-5081	101	4	d.f	d.f	PROPN
cet-5081	101	5	.	.	PROPN
cet-5081	101	6	,	,	PUNCT
cet-5081	101	7	abreu	abreu	PROPN
cet-5081	101	8	,	,	PUNCT
cet-5081	101	9	c.r.a	c.r.a	PROPN
cet-5081	101	10	.	.	PUNCT
cet-5081	101	11	,	,	PUNCT
cet-5081	101	12	guirardello	guirardello	PROPN
cet-5081	101	13	,	,	PUNCT
cet-5081	101	14	r.	r.	PROPN
cet-5081	101	15	,	,	PUNCT
cet-5081	101	16	2012	2012	NUM
cet-5081	101	17	,	,	PUNCT
cet-5081	101	18	thermochemical	thermochemical	ADJ
cet-5081	101	19	properties	property	NOUN
cet-5081	101	20	estimation	estimation	NOUN
cet-5081	101	21	for	for	ADP
cet-5081	101	22	biodiesel	biodiesel	NOUN
cet-5081	101	23	related	relate	VERB
cet-5081	101	24	mixtures	mixture	NOUN
cet-5081	101	25	,	,	PUNCT
cet-5081	101	26	proceedings	proceeding	NOUN
cet-5081	101	27	of	of	ADP
cet-5081	101	28	engopt	engopt	PROPN
cet-5081	101	29	2012	2012	NUM
cet-5081	101	30	,	,	PUNCT
cet-5081	101	31	paper	paper	NOUN
cet-5081	101	32	516	516	NUM
cet-5081	101	33	,	,	PUNCT
cet-5081	101	34	10	10	NUM
cet-5081	101	35	pages	page	NOUN
cet-5081	101	36	,	,	PUNCT
cet-5081	101	37	rio	rio	PROPN
cet-5081	101	38	de	de	PROPN
cet-5081	101	39	janeiro	janeiro	PROPN
cet-5081	101	40	.	.	PROPN
cet-5081	101	41	cunico	cunico	PROPN
cet-5081	101	42	,	,	PUNCT
cet-5081	101	43	l.p	l.p	PROPN
cet-5081	101	44	.	.	PROPN
cet-5081	101	45	,	,	PUNCT
cet-5081	101	46	ceriani	ceriani	PROPN
cet-5081	101	47	,	,	PUNCT
cet-5081	101	48	r.	r.	PROPN
cet-5081	101	49	,	,	PUNCT
cet-5081	101	50	guirardello	guirardello	PROPN
cet-5081	101	51	,	,	PUNCT
cet-5081	101	52	r.	r.	PROPN
cet-5081	101	53	,	,	PUNCT
cet-5081	101	54	2013	2013	NUM
cet-5081	101	55	,	,	PUNCT
cet-5081	101	56	estimation	estimation	NOUN
cet-5081	101	57	of	of	ADP
cet-5081	101	58	physical	physical	ADJ
cet-5081	101	59	properties	property	NOUN
cet-5081	101	60	of	of	ADP
cet-5081	101	61	vegetal	vegetal	ADJ
cet-5081	101	62	oils	oil	NOUN
cet-5081	101	63	and	and	CCONJ
cet-5081	101	64	biodiesel	biodiesel	NOUN
cet-5081	101	65	using	use	VERB
cet-5081	101	66	group	group	NOUN
cet-5081	101	67	contribution	contribution	NOUN
cet-5081	101	68	methods	method	NOUN
cet-5081	101	69	.	.	PUNCT
cet-5081	102	1	chemical	chemical	NOUN
cet-5081	102	2	engineering	engineering	NOUN
cet-5081	102	3	transactions	transaction	NOUN
cet-5081	102	4	,	,	PUNCT
cet-5081	102	5	32	32	NUM
cet-5081	102	6	,	,	PUNCT
cet-5081	102	7	535–540	535–540	NUM
cet-5081	102	8	.	.	PUNCT
cet-5081	103	1	daubert	daubert	ADJ
cet-5081	103	2	,	,	PUNCT
cet-5081	103	3	t.e	t.e	PROPN
cet-5081	103	4	.	.	PROPN
cet-5081	103	5	,	,	PUNCT
cet-5081	103	6	danner	danner	PROPN
cet-5081	103	7	,	,	PUNCT
cet-5081	103	8	r.p	r.p	PROPN
cet-5081	103	9	.	.	PROPN
cet-5081	103	10	,	,	PUNCT
cet-5081	103	11	1985	1985	NUM
cet-5081	103	12	,	,	PUNCT
cet-5081	103	13	data	datum	NOUN
cet-5081	103	14	compilation	compilation	NOUN
cet-5081	103	15	tables	table	NOUN
cet-5081	103	16	of	of	ADP
cet-5081	103	17	properties	property	NOUN
cet-5081	103	18	of	of	ADP
cet-5081	103	19	pure	pure	ADJ
cet-5081	103	20	compounds	compound	NOUN
cet-5081	103	21	,	,	PUNCT
cet-5081	103	22	american	american	PROPN
cet-5081	103	23	institute	institute	PROPN
cet-5081	103	24	of	of	ADP
cet-5081	103	25	chemical	chemical	PROPN
cet-5081	103	26	engineers	engineer	NOUN
cet-5081	103	27	,	,	PUNCT
cet-5081	103	28	new	new	PROPN
cet-5081	103	29	york	york	PROPN
cet-5081	103	30	.	.	PUNCT
cet-5081	104	1	gerber	gerber	PROPN
cet-5081	104	2	,	,	PUNCT
cet-5081	104	3	r.p	r.p	PROPN
cet-5081	104	4	.	.	PROPN
cet-5081	104	5	;	;	PUNCT
cet-5081	104	6	soares	soares	PROPN
cet-5081	104	7	,	,	PUNCT
cet-5081	104	8	r.p	r.p	PROPN
cet-5081	104	9	.	.	PROPN
cet-5081	104	10	,	,	PUNCT
cet-5081	104	11	2010	2010	NUM
cet-5081	104	12	,	,	PUNCT
cet-5081	104	13	prediction	prediction	NOUN
cet-5081	104	14	of	of	ADP
cet-5081	104	15	infinite	infinite	ADJ
cet-5081	104	16	-	-	PUNCT
cet-5081	104	17	dilution	dilution	NOUN
cet-5081	104	18	activity	activity	NOUN
cet-5081	104	19	coefficients	coefficient	NOUN
cet-5081	104	20	using	use	VERB
cet-5081	104	21	unifac	unifac	NOUN
cet-5081	104	22	and	and	CCONJ
cet-5081	104	23	cosmo	cosmo	NOUN
cet-5081	104	24	-	-	PUNCT
cet-5081	104	25	sac	sac	NOUN
cet-5081	104	26	variants	variant	NOUN
cet-5081	104	27	,	,	PUNCT
cet-5081	104	28	industrial	industrial	PROPN
cet-5081	104	29	&	&	CCONJ
cet-5081	104	30	engineering	engineer	VERB
cet-5081	104	31	chemistry	chemistry	NOUN
cet-5081	104	32	research	research	NOUN
cet-5081	104	33	,	,	PUNCT
cet-5081	104	34	49	49	NUM
cet-5081	104	35	,	,	PUNCT
cet-5081	104	36	7488–7496	7488–7496	NUM
cet-5081	104	37	.	.	PUNCT
cet-5081	105	1	klamt	klamt	PROPN
cet-5081	105	2	,	,	PUNCT
cet-5081	105	3	a.	a.	NOUN
cet-5081	105	4	,	,	PUNCT
cet-5081	105	5	1995	1995	NUM
cet-5081	105	6	,	,	PUNCT
cet-5081	105	7	conductor	conductor	NOUN
cet-5081	105	8	-	-	PUNCT
cet-5081	105	9	like	like	ADJ
cet-5081	105	10	screening	screen	VERB
cet-5081	105	11	model	model	NOUN
cet-5081	105	12	for	for	ADP
cet-5081	105	13	real	real	ADJ
cet-5081	105	14	solvents	solvent	NOUN
cet-5081	105	15	–	–	PUNCT
cet-5081	105	16	a	a	DET
cet-5081	105	17	new	new	ADJ
cet-5081	105	18	approach	approach	NOUN
cet-5081	105	19	to	to	ADP
cet-5081	105	20	the	the	DET
cet-5081	105	21	quantitative	quantitative	ADJ
cet-5081	105	22	calculation	calculation	NOUN
cet-5081	105	23	of	of	ADP
cet-5081	105	24	solvation	solvation	NOUN
cet-5081	105	25	phenomena	phenomenon	NOUN
cet-5081	105	26	,	,	PUNCT
cet-5081	105	27	the	the	DET
cet-5081	105	28	journal	journal	NOUN
cet-5081	105	29	of	of	ADP
cet-5081	105	30	physical	physical	ADJ
cet-5081	105	31	chemistry	chemistry	NOUN
cet-5081	105	32	,	,	PUNCT
cet-5081	105	33	99	99	NUM
cet-5081	105	34	,	,	PUNCT
cet-5081	105	35	2224–2235	2224–2235	NUM
cet-5081	105	36	.	.	PUNCT
cet-5081	106	1	lin	lin	PROPN
cet-5081	106	2	,	,	PUNCT
cet-5081	106	3	s.t	s.t	PROPN
cet-5081	106	4	.	.	PROPN
cet-5081	106	5	,	,	PUNCT
cet-5081	106	6	sandler	sandler	PROPN
cet-5081	106	7	,	,	PUNCT
cet-5081	106	8	s.i	s.i	PROPN
cet-5081	106	9	.	.	PROPN
cet-5081	106	10	,	,	PUNCT
cet-5081	106	11	2002	2002	NUM
cet-5081	106	12	,	,	PUNCT
cet-5081	106	13	a	a	DET
cet-5081	106	14	priori	priori	ADJ
cet-5081	106	15	phase	phase	NOUN
cet-5081	106	16	equilibrium	equilibrium	NOUN
cet-5081	106	17	prediction	prediction	NOUN
cet-5081	106	18	from	from	ADP
cet-5081	106	19	a	a	DET
cet-5081	106	20	segment	segment	NOUN
cet-5081	106	21	contribution	contribution	NOUN
cet-5081	106	22	solvation	solvation	NOUN
cet-5081	106	23	model	model	NOUN
cet-5081	106	24	,	,	PUNCT
cet-5081	106	25	industrial	industrial	PROPN
cet-5081	106	26	&	&	CCONJ
cet-5081	106	27	engineering	engineer	VERB
cet-5081	106	28	chemistry	chemistry	NOUN
cet-5081	106	29	research	research	NOUN
cet-5081	106	30	,	,	PUNCT
cet-5081	106	31	41	41	NUM
cet-5081	106	32	,	,	PUNCT
cet-5081	106	33	899–913	899–913	NUM
cet-5081	106	34	.	.	PUNCT
cet-5081	107	1	mullins	mullins	PROPN
cet-5081	107	2	,	,	PUNCT
cet-5081	107	3	e.	e.	PROPN
cet-5081	107	4	,	,	PUNCT
cet-5081	107	5	liu	liu	PROPN
cet-5081	107	6	,	,	PUNCT
cet-5081	107	7	y.a	y.a	PROPN
cet-5081	107	8	.	.	PROPN
cet-5081	107	9	,	,	PUNCT
cet-5081	107	10	ghaderi	ghaderi	NOUN
cet-5081	107	11	,	,	PUNCT
cet-5081	107	12	a.	a.	NOUN
cet-5081	107	13	,	,	PUNCT
cet-5081	107	14	fast	fast	ADV
cet-5081	107	15	,	,	PUNCT
cet-5081	107	16	s.d	s.d	PROPN
cet-5081	107	17	.	.	PROPN
cet-5081	107	18	,	,	PUNCT
cet-5081	107	19	2008	2008	NUM
cet-5081	107	20	,	,	PUNCT
cet-5081	107	21	sigma	sigma	VERB
cet-5081	107	22	profile	profile	NOUN
cet-5081	107	23	database	database	NOUN
cet-5081	107	24	for	for	ADP
cet-5081	107	25	predicting	predict	VERB
cet-5081	107	26	solid	solid	ADJ
cet-5081	107	27	solubility	solubility	NOUN
cet-5081	107	28	in	in	ADP
cet-5081	107	29	pure	pure	ADJ
cet-5081	107	30	and	and	CCONJ
cet-5081	107	31	mixed	mixed	ADJ
cet-5081	107	32	solvent	solvent	ADJ
cet-5081	107	33	mixtures	mixture	NOUN
cet-5081	107	34	for	for	ADP
cet-5081	107	35	organic	organic	ADJ
cet-5081	107	36	pharmacological	pharmacological	NOUN
cet-5081	107	37	with	with	ADP
cet-5081	107	38	cosmo	cosmo	NOUN
cet-5081	107	39	-	-	PUNCT
cet-5081	107	40	based	base	VERB
cet-5081	107	41	thermodynamic	thermodynamic	ADJ
cet-5081	107	42	methods	method	NOUN
cet-5081	107	43	,	,	PUNCT
cet-5081	107	44	industrial	industrial	PROPN
cet-5081	107	45	&	&	CCONJ
cet-5081	107	46	engineering	engineer	VERB
cet-5081	107	47	chemistry	chemistry	NOUN
cet-5081	107	48	research	research	NOUN
cet-5081	107	49	,	,	PUNCT
cet-5081	107	50	47	47	NUM
cet-5081	107	51	,	,	PUNCT
cet-5081	107	52	1707–1725	1707–1725	NUM
cet-5081	107	53	.	.	PUNCT
cet-5081	108	1	soujanya	soujanya	PROPN
cet-5081	108	2	,	,	PUNCT
cet-5081	108	3	j.	j.	PROPN
cet-5081	108	4	,	,	PUNCT
cet-5081	108	5	satyavathi	satyavathi	PROPN
cet-5081	108	6	,	,	PUNCT
cet-5081	108	7	b.	b.	PROPN
cet-5081	108	8	,	,	PUNCT
cet-5081	108	9	vittal	vittal	ADJ
cet-5081	108	10	prasad	prasad	PROPN
cet-5081	108	11	,	,	PUNCT
cet-5081	108	12	t.	t.	PROPN
cet-5081	108	13	e.	e.	PROPN
cet-5081	108	14	,	,	PUNCT
cet-5081	108	15	2010	2010	NUM
cet-5081	108	16	,	,	PUNCT
cet-5081	108	17	experimental	experimental	NOUN
cet-5081	108	18	(	(	PUNCT
cet-5081	108	19	vapour	vapour	NOUN
cet-5081	108	20	+	+	CCONJ
cet-5081	108	21	liquid	liquid	ADJ
cet-5081	108	22	)	)	PUNCT
cet-5081	108	23	equilibrium	equilibrium	NOUN
cet-5081	108	24	data	datum	NOUN
cet-5081	108	25	of	of	ADP
cet-5081	108	26	(	(	PUNCT
cet-5081	108	27	methanol	methanol	NOUN
cet-5081	108	28	+	+	CCONJ
cet-5081	108	29	water	water	NOUN
cet-5081	108	30	)	)	PUNCT
cet-5081	108	31	,	,	PUNCT
cet-5081	108	32	(	(	PUNCT
cet-5081	108	33	water	water	NOUN
cet-5081	108	34	+	+	CCONJ
cet-5081	108	35	glycerol	glycerol	NOUN
cet-5081	108	36	)	)	PUNCT
cet-5081	108	37	and	and	CCONJ
cet-5081	108	38	(	(	PUNCT
cet-5081	108	39	methanol	methanol	NOUN
cet-5081	108	40	+	+	CCONJ
cet-5081	108	41	glycerol	glycerol	NOUN
cet-5081	108	42	)	)	PUNCT
cet-5081	108	43	systems	system	NOUN
cet-5081	108	44	at	at	ADP
cet-5081	108	45	atmospheric	atmospheric	ADJ
cet-5081	108	46	and	and	CCONJ
cet-5081	108	47	subatmospheric	subatmospheric	NOUN
cet-5081	108	48	pressures	pressure	NOUN
cet-5081	108	49	.	.	PUNCT
cet-5081	109	1	the	the	DET
cet-5081	109	2	journal	journal	NOUN
cet-5081	109	3	of	of	ADP
cet-5081	109	4	chemical	chemical	PROPN
cet-5081	109	5	thermodynamics	thermodynamic	NOUN
cet-5081	109	6	,	,	PUNCT
cet-5081	109	7	42	42	NUM
cet-5081	109	8	,	,	PUNCT
cet-5081	109	9	621–624	621–624	NUM
cet-5081	109	10	.	.	PUNCT
cet-5081	110	1	wang	wang	PROPN
cet-5081	110	2	,	,	PUNCT
cet-5081	110	3	s.	s.	PROPN
cet-5081	110	4	,	,	PUNCT
cet-5081	110	5	lin	lin	PROPN
cet-5081	110	6	,	,	PUNCT
cet-5081	110	7	s.	s.	PROPN
cet-5081	110	8	,	,	PUNCT
cet-5081	110	9	watanasiri	watanasiri	PROPN
cet-5081	110	10	,	,	PUNCT
cet-5081	110	11	s.	s.	PROPN
cet-5081	110	12	,	,	PUNCT
cet-5081	110	13	chen	chen	PROPN
cet-5081	110	14	,	,	PUNCT
cet-5081	110	15	c.	c.	PROPN
cet-5081	110	16	,	,	PUNCT
cet-5081	110	17	2009	2009	NUM
cet-5081	110	18	,	,	PUNCT
cet-5081	110	19	use	use	NOUN
cet-5081	110	20	of	of	ADP
cet-5081	110	21	gamess	gamess	NOUN
cet-5081	110	22	/	/	SYM
cet-5081	110	23	cosmo	cosmo	PROPN
cet-5081	110	24	program	program	NOUN
cet-5081	110	25	in	in	ADP
cet-5081	110	26	support	support	NOUN
cet-5081	110	27	of	of	ADP
cet-5081	110	28	cosmosac	cosmosac	NOUN
cet-5081	110	29	model	model	NOUN
cet-5081	110	30	applications	application	NOUN
cet-5081	110	31	in	in	ADP
cet-5081	110	32	phase	phase	NOUN
cet-5081	110	33	equilibrium	equilibrium	NOUN
cet-5081	110	34	prediction	prediction	NOUN
cet-5081	110	35	calculations	calculation	NOUN
cet-5081	110	36	,	,	PUNCT
cet-5081	110	37	fluid	fluid	ADJ
cet-5081	110	38	phase	phase	NOUN
cet-5081	110	39	equilibria	equilibria	NOUN
cet-5081	110	40	,	,	PUNCT
cet-5081	110	41	276	276	NUM
cet-5081	110	42	,	,	PUNCT
cet-5081	110	43	37–45	37–45	NUM
cet-5081	110	44	.	.	PUNCT
cet-5081	110	45	yang	yang	PROPN
cet-5081	110	46	,	,	PUNCT
cet-5081	110	47	l.	l.	PROPN
cet-5081	110	48	,	,	PUNCT
cet-5081	110	49	xu	xu	PROPN
cet-5081	110	50	,	,	PUNCT
cet-5081	110	51	x.	x.	PROPN
cet-5081	110	52	,	,	PUNCT
cet-5081	110	53	peng	peng	PROPN
cet-5081	110	54	,	,	PUNCT
cet-5081	110	55	c.	c.	PROPN
cet-5081	110	56	,	,	PUNCT
cet-5081	110	57	liu	liu	PROPN
cet-5081	110	58	,	,	PUNCT
cet-5081	110	59	h.	h.	PROPN
cet-5081	110	60	,	,	PUNCT
cet-5081	110	61	hu	hu	PROPN
cet-5081	110	62	,	,	PUNCT
cet-5081	110	63	y.	y.	PROPN
cet-5081	110	64	,	,	PUNCT
cet-5081	110	65	2010	2010	NUM
cet-5081	110	66	,	,	PUNCT
cet-5081	110	67	prediction	prediction	NOUN
cet-5081	110	68	of	of	ADP
cet-5081	110	69	vapour	vapour	NOUN
cet-5081	110	70	-	-	PUNCT
cet-5081	110	71	liquid	liquid	ADJ
cet-5081	110	72	equilibrium	equilibrium	NOUN
cet-5081	110	73	for	for	ADP
cet-5081	110	74	polymer	polymer	NOUN
cet-5081	110	75	solutions	solution	NOUN
cet-5081	110	76	based	base	VERB
cet-5081	110	77	on	on	ADP
cet-5081	110	78	the	the	DET
cet-5081	110	79	cosmo	cosmo	NOUN
cet-5081	110	80	-	-	PUNCT
cet-5081	110	81	sac	sac	NOUN
cet-5081	110	82	model	model	NOUN
cet-5081	110	83	,	,	PUNCT
cet-5081	110	84	aiche	aiche	PROPN
cet-5081	110	85	journal	journal	PROPN
cet-5081	110	86	,	,	PUNCT
cet-5081	110	87	56	56	NUM
cet-5081	110	88	,	,	PUNCT
cet-5081	110	89	2687	2687	NUM
cet-5081	110	90	-	-	SYM
cet-5081	110	91	2698	2698	NUM
cet-5081	110	92	.	.	PUNCT
cet-5081	110	93	1884	1884	NUM