ABSTRACT

Vapor-liquid equilibrium measurements have been performed on several binary systems incorporating chemicals of interest to the biofuels industry. Systems were chosen based on two criteria: (1) similarity to measurement requests received by Wiltec and (2) suitability of using the Wilson Equation to model the activity coefficients for the VLE data. The Wilson Equation is a good choice for modeling fully miscible solutions of moderately polar compounds. With these two ideas in mind, systems were chosen incorporating the following compounds: 1-methoxy-2- propanol (MOPO), 2-furaldehyde (FUR), allyl alcohol (AllOH), butyl acetate (BACE), carbon dioxide (CO2), carbon disulfide (CS2), carbonyl sulfide (COS), ethanolamine (EOA), ethyl acetate (EACE), n-butanol (nBOH), pentane (PEN), and t-butanol (tBOH). Measurement temperatures ranged from -25 to +200deg C.

Compounds

#	Formula	Name
1	C4H10O2	1-methoxy-2-propanol
2	C5H4O2	2-furaldehyde
3	C3H6O	2-propenol
4	C6H12O2	butyl ethanoate
5	CO2	carbon dioxide
6	CS2	carbon disulfide
7	COS	carbonyl sulfide
8	C2H7NO	2-aminoethan-1-ol
9	C4H8O2	ethyl acetate
10	C4H10O	butan-1-ol
11	C5H12	pentane
12	C4H10O	2-methylpropan-2-ol

Datasets

The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type	Compound-#	Property	Variable	Phase	Method	#Points
POMD	1	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid	Liquid Gas	CCELL:UFactor:8	8
POMD	2	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid	Liquid Gas	CCELL:UFactor:8	4
POMD	3	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid	Liquid Gas	CCELL:UFactor:8	6
POMD	4	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid	Liquid Gas	CCELL:UFactor:8	6
POMD	5	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid	Liquid Gas	CCELL:UFactor:8	2
POMD	6	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid	Liquid Gas	CCELL:UFactor:8	2
POMD	7	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid	Liquid Gas	CCELL:UFactor:8	4
POMD	8	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid	Liquid Gas	CCELL:UFactor:8	6
POMD	9	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid	Liquid Gas	CCELL:UFactor:8	2
POMD	10	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid	Liquid Gas	CCELL:UFactor:8	2
POMD	11	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid	Liquid Gas	CCELL:UFactor:8	2
POMD	12	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid	Liquid Gas	CCELL:UFactor:8	4
POMD	5 7	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid Mole fraction - 7; Liquid	Liquid Gas	CCELL:UFactor:8	60
POMD	6 7	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid Mole fraction - 6; Liquid	Liquid Gas	CCELL:UFactor:8	53
POMD	10 11	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid Mole fraction - 10; Liquid	Liquid Gas	CCELL:UFactor:8	61
POMD	3 8	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid Mole fraction - 8; Liquid	Liquid Gas	CCELL:UFactor:8	56
POMD	12 8	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid Mole fraction - 8; Liquid	Liquid Gas	CCELL:UFactor:8	56
POMD	1 8	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid Mole fraction - 8; Liquid	Liquid Gas	CCELL:UFactor:8	56
POMD	1 9	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Liquid Gas	CCELL:UFactor:8	56
POMD	2 3	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid Mole fraction - 2; Liquid	Liquid Gas	CCELL:UFactor:8	56
POMD	2 1	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid Mole fraction - 2; Liquid	Liquid Gas	CCELL:UFactor:8	54
POMD	3 4	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid Mole fraction - 4; Liquid	Liquid Gas	CCELL:UFactor:8	54
POMD	12 4	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid Mole fraction - 4; Liquid	Liquid Gas	CCELL:UFactor:8	54
POMD	1 4	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid Mole fraction - 4; Liquid	Liquid Gas	CCELL:UFactor:8	53

Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Vapor Liquid Equilibrium for Several Compounds Relevant to the Biofuels Industry Modeled with the Wilson Equation

McDougal, R. J.[Rubin J], Jasperson, L. V.[Louis V.], Wilson, G. M.[Grant M.]

ABSTRACT