Second virial coefficients of normal alkanes, linear 1-alkanols (and water), alkyl ethers, and their mixtures

• Published in: Fluid phase equilibria Vol. 133; no. 1; pp. 11 - 34
• Main Authors: Tsonopoulos, Constantine, Dymond, John H.
• Format: Journal Article Conference Proceeding
• Language: English
• Published: Amsterdam Elsevier B.V 01-06-1997; Elsevier Science
• Subjects: Alkanes; Alkanols; Alkyl ethers; Chemical thermodynamics; Chemistry; Equation of state; Exact sciences and technology; General and physical chemistry; Method of calculation; Mixtures; Second virial coefficient; Thermodynamic properties; Second virial coefficient; Alkanes; Equation of state; Alkyl ethers; Alkanols; Method of calculation; Ether; Hydrocarbon; Binary system; Theoretical study; Primary alcohol; Equations of state; Alkane; Cross correlation; Alkanol; Aqueous solution; Thermodynamic properties; Organic compounds
• ISSN: 0378-3812; 1879-0224
• DOI: 10.1016/S0378-3812(97)00058-7

Earlier recommendations [J.H. dymond et al., Fluid Phase Equilibria 27 (1986) 1 – 13; C. Tsonopoulos et al., Pure Appl. Chem. 61 (1989) 1387–1394.] are updated for C
4C
8 alkanes and C
1C
4 alkanols, and more recent values are presented for 1-hexanol. New recommendations are made for butane, on the basis of recent isochoric Burnett measurements. Preliminary recommendations are given for dimethyl, diethyl, and diisopropyl ethers, but nothing definitive can be said about other alkyl ethers due to the limited quantity and quality of the available data. Calculations with a correlation [C. Tsonopoulos, AIChE J. 20 (1974) 263 – 272] reexamine the dependence of the parameter
b of alkanols and parameter
a of alkyl ethers on their reduced dipole moment. Also included is the recent [C. Tsonopoulos and J.L. Heidman, Fluid Phase Equilibria 57 (1990) 261 – 276] analysis of the data for water and water/alkane binaries, along with new analyses of data for the binaries of water with methanol and ethanol. Only other relevant binary data that could be located were for n-hexane/ethanol and methanol/diethyl ether. Recommendations are given for the characteristic binary constant
k
ij
for all binaries of interest. In addition, recent results are provided for the critical properties of the industrially important alkyl ethers MTBE, ETBE, TAME, and TAEE, together with recommendations for calculating their
B with the 1974 correlation.