id	sid	tid	token	lemma	pos
44558c99p04	1	1	the	the	DET
44558c99p04	1	2	focus	focus	NOUN
44558c99p04	1	3	of	of	ADP
44558c99p04	1	4	this	this	DET
44558c99p04	1	5	dissertation	dissertation	NOUN
44558c99p04	1	6	is	be	AUX
44558c99p04	1	7	to	to	PART
44558c99p04	1	8	explore	explore	VERB
44558c99p04	1	9	how	how	SCONJ
44558c99p04	1	10	classical	classical	ADJ
44558c99p04	1	11	molecular	molecular	ADJ
44558c99p04	1	12	dynamics	dynamic	NOUN
44558c99p04	1	13	(	(	PUNCT
44558c99p04	1	14	cmd	cmd	NOUN
44558c99p04	1	15	)	)	PUNCT
44558c99p04	1	16	simulations	simulation	NOUN
44558c99p04	1	17	and	and	CCONJ
44558c99p04	1	18	ab	ab	PROPN
44558c99p04	1	19	initio	initio	NOUN
44558c99p04	1	20	calculations	calculation	NOUN
44558c99p04	1	21	can	can	AUX
44558c99p04	1	22	be	be	AUX
44558c99p04	1	23	used	use	VERB
44558c99p04	1	24	to	to	PART
44558c99p04	1	25	further	further	VERB
44558c99p04	1	26	the	the	DET
44558c99p04	1	27	current	current	ADJ
44558c99p04	1	28	understanding	understanding	NOUN
44558c99p04	1	29	of	of	ADP
44558c99p04	1	30	aha	aha	PROPN
44558c99p04	1	31	il	il	PROPN
44558c99p04	1	32	systems	system	NOUN
44558c99p04	1	33	.	.	PUNCT
44558c99p04	2	1	the	the	DET
44558c99p04	2	2	dissertation	dissertation	NOUN
44558c99p04	2	3	starts	start	VERB
44558c99p04	2	4	with	with	ADP
44558c99p04	2	5	a	a	DET
44558c99p04	2	6	review	review	NOUN
44558c99p04	2	7	of	of	ADP
44558c99p04	2	8	the	the	DET
44558c99p04	2	9	development	development	NOUN
44558c99p04	2	10	of	of	ADP
44558c99p04	2	11	co2	co2	NOUN
44558c99p04	2	12	-	-	PUNCT
44558c99p04	2	13	reactive	reactive	ADJ
44558c99p04	2	14	ils	il	NOUN
44558c99p04	2	15	and	and	CCONJ
44558c99p04	2	16	the	the	DET
44558c99p04	2	17	role	role	NOUN
44558c99p04	2	18	that	that	PRON
44558c99p04	2	19	simulations	simulation	NOUN
44558c99p04	2	20	played	play	VERB
44558c99p04	2	21	in	in	ADP
44558c99p04	2	22	advancing	advance	VERB
44558c99p04	2	23	their	their	PRON
44558c99p04	2	24	design	design	NOUN
44558c99p04	2	25	.	.	PUNCT
44558c99p04	3	1	cmd	cmd	NOUN
44558c99p04	3	2	simulations	simulation	NOUN
44558c99p04	3	3	are	be	AUX
44558c99p04	3	4	used	use	VERB
44558c99p04	3	5	to	to	PART
44558c99p04	3	6	examine	examine	VERB
44558c99p04	3	7	the	the	DET
44558c99p04	3	8	liquid	liquid	ADJ
44558c99p04	3	9	structure	structure	NOUN
44558c99p04	3	10	and	and	CCONJ
44558c99p04	3	11	dynamics	dynamic	NOUN
44558c99p04	3	12	of	of	ADP
44558c99p04	3	13	both	both	CCONJ
44558c99p04	3	14	pure	pure	ADJ
44558c99p04	3	15	ils	il	NOUN
44558c99p04	3	16	and	and	CCONJ
44558c99p04	3	17	il	il	PROPN
44558c99p04	3	18	-	-	PUNCT
44558c99p04	3	19	water	water	NOUN
44558c99p04	3	20	mixtures	mixture	NOUN
44558c99p04	3	21	.	.	PUNCT
44558c99p04	4	1	the	the	DET
44558c99p04	4	2	water	water	NOUN
44558c99p04	4	3	solubility	solubility	NOUN
44558c99p04	4	4	and	and	CCONJ
44558c99p04	4	5	the	the	DET
44558c99p04	4	6	observed	observed	ADJ
44558c99p04	4	7	changes	change	NOUN
44558c99p04	4	8	in	in	ADP
44558c99p04	4	9	dynamics	dynamic	NOUN
44558c99p04	4	10	from	from	ADP
44558c99p04	4	11	the	the	DET
44558c99p04	4	12	addition	addition	NOUN
44558c99p04	4	13	of	of	ADP
44558c99p04	4	14	water	water	NOUN
44558c99p04	4	15	are	be	AUX
44558c99p04	4	16	explained	explain	VERB
44558c99p04	4	17	through	through	ADP
44558c99p04	4	18	structural	structural	ADJ
44558c99p04	4	19	analysis	analysis	NOUN
44558c99p04	4	20	of	of	ADP
44558c99p04	4	21	hydrogen	hydrogen	NOUN
44558c99p04	4	22	bonds	bond	NOUN
44558c99p04	4	23	formed	form	VERB
44558c99p04	4	24	between	between	ADP
44558c99p04	4	25	water	water	NOUN
44558c99p04	4	26	and	and	CCONJ
44558c99p04	4	27	the	the	DET
44558c99p04	4	28	anions	anion	NOUN
44558c99p04	4	29	.	.	PUNCT
44558c99p04	5	1	the	the	DET
44558c99p04	5	2	liquid	liquid	ADJ
44558c99p04	5	3	structure	structure	NOUN
44558c99p04	5	4	is	be	AUX
44558c99p04	5	5	examined	examine	VERB
44558c99p04	5	6	through	through	ADP
44558c99p04	5	7	comparison	comparison	NOUN
44558c99p04	5	8	of	of	ADP
44558c99p04	5	9	measured	measured	ADJ
44558c99p04	5	10	and	and	CCONJ
44558c99p04	5	11	computed	computed	ADJ
44558c99p04	5	12	structure	structure	NOUN
44558c99p04	5	13	functions	function	NOUN
44558c99p04	5	14	for	for	ADP
44558c99p04	5	15	a	a	DET
44558c99p04	5	16	series	series	NOUN
44558c99p04	5	17	of	of	ADP
44558c99p04	5	18	ils	il	NOUN
44558c99p04	5	19	with	with	ADP
44558c99p04	5	20	different	different	ADJ
44558c99p04	5	21	combinations	combination	NOUN
44558c99p04	5	22	of	of	ADP
44558c99p04	5	23	cations	cation	NOUN
44558c99p04	5	24	and	and	CCONJ
44558c99p04	5	25	anions	anion	NOUN
44558c99p04	5	26	.	.	PUNCT
44558c99p04	6	1	the	the	DET
44558c99p04	6	2	fact	fact	NOUN
44558c99p04	6	3	that	that	SCONJ
44558c99p04	6	4	the	the	DET
44558c99p04	6	5	liquid	liquid	ADJ
44558c99p04	6	6	structure	structure	NOUN
44558c99p04	6	7	functions	function	NOUN
44558c99p04	6	8	do	do	AUX
44558c99p04	6	9	not	not	PART
44558c99p04	6	10	change	change	VERB
44558c99p04	6	11	appreciably	appreciably	ADV
44558c99p04	6	12	upon	upon	SCONJ
44558c99p04	6	13	reaction	reaction	NOUN
44558c99p04	6	14	with	with	ADP
44558c99p04	6	15	co2	co2	NOUN
44558c99p04	6	16	is	be	AUX
44558c99p04	6	17	used	use	VERB
44558c99p04	6	18	to	to	PART
44558c99p04	6	19	explain	explain	VERB
44558c99p04	6	20	why	why	SCONJ
44558c99p04	6	21	viscosities	viscosity	NOUN
44558c99p04	6	22	of	of	ADP
44558c99p04	6	23	aha	aha	INTJ
44558c99p04	6	24	ils	il	NOUN
44558c99p04	6	25	do	do	AUX
44558c99p04	6	26	not	not	PART
44558c99p04	6	27	change	change	VERB
44558c99p04	6	28	much	much	ADV
44558c99p04	6	29	upon	upon	SCONJ
44558c99p04	6	30	reaction	reaction	NOUN
44558c99p04	6	31	with	with	ADP
44558c99p04	6	32	co2	co2	PROPN
44558c99p04	6	33	.	.	PUNCT
44558c99p04	7	1	a	a	DET
44558c99p04	7	2	method	method	NOUN
44558c99p04	7	3	is	be	AUX
44558c99p04	7	4	presented	present	VERB
44558c99p04	7	5	for	for	ADP
44558c99p04	7	6	calculating	calculate	VERB
44558c99p04	7	7	co2	co2	NOUN
44558c99p04	7	8	solubilities	solubility	NOUN
44558c99p04	7	9	in	in	ADP
44558c99p04	7	10	aha	aha	INTJ
44558c99p04	7	11	ils	il	NOUN
44558c99p04	7	12	using	use	VERB
44558c99p04	7	13	the	the	DET
44558c99p04	7	14	gibbs	gibbs	PROPN
44558c99p04	7	15	free	free	ADJ
44558c99p04	7	16	energy	energy	NOUN
44558c99p04	7	17	of	of	ADP
44558c99p04	7	18	reaction	reaction	NOUN
44558c99p04	7	19	.	.	PUNCT
44558c99p04	8	1	the	the	DET
44558c99p04	8	2	method	method	NOUN
44558c99p04	8	3	is	be	AUX
44558c99p04	8	4	able	able	ADJ
44558c99p04	8	5	to	to	PART
44558c99p04	8	6	predict	predict	VERB
44558c99p04	8	7	isotherms	isotherm	NOUN
44558c99p04	8	8	with	with	ADP
44558c99p04	8	9	the	the	DET
44558c99p04	8	10	characteristic	characteristic	ADJ
44558c99p04	8	11	shapes	shape	NOUN
44558c99p04	8	12	of	of	ADP
44558c99p04	8	13	experimental	experimental	ADJ
44558c99p04	8	14	isotherms	isotherm	NOUN
44558c99p04	8	15	,	,	PUNCT
44558c99p04	8	16	but	but	CCONJ
44558c99p04	8	17	the	the	DET
44558c99p04	8	18	predicted	predict	VERB
44558c99p04	8	19	isotherms	isotherm	NOUN
44558c99p04	8	20	are	be	AUX
44558c99p04	8	21	highly	highly	ADV
44558c99p04	8	22	sensitive	sensitive	ADJ
44558c99p04	8	23	to	to	ADP
44558c99p04	8	24	the	the	DET
44558c99p04	8	25	calculated	calculate	VERB
44558c99p04	8	26	model	model	NOUN
44558c99p04	8	27	parameters	parameter	NOUN
44558c99p04	8	28	.	.	PUNCT
44558c99p04	9	1	the	the	DET
44558c99p04	9	2	methods	method	NOUN
44558c99p04	9	3	used	use	VERB
44558c99p04	9	4	in	in	ADP
44558c99p04	9	5	this	this	DET
44558c99p04	9	6	dissertation	dissertation	NOUN
44558c99p04	9	7	provide	provide	VERB
44558c99p04	9	8	a	a	DET
44558c99p04	9	9	means	means	NOUN
44558c99p04	9	10	to	to	PART
44558c99p04	9	11	compare	compare	VERB
44558c99p04	9	12	different	different	ADJ
44558c99p04	9	13	ils	il	NOUN
44558c99p04	9	14	within	within	ADP
44558c99p04	9	15	the	the	DET
44558c99p04	9	16	same	same	ADJ
44558c99p04	9	17	family	family	NOUN
44558c99p04	9	18	,	,	PUNCT
44558c99p04	9	19	and	and	CCONJ
44558c99p04	9	20	to	to	PART
44558c99p04	9	21	select	select	VERB
44558c99p04	9	22	ils	il	NOUN
44558c99p04	9	23	with	with	ADP
44558c99p04	9	24	promising	promising	ADJ
44558c99p04	9	25	properties	property	NOUN
44558c99p04	9	26	prior	prior	ADV
44558c99p04	9	27	to	to	ADP
44558c99p04	9	28	synthesis	synthesis	NOUN
44558c99p04	9	29	.	.	PUNCT