A Perturbed-Chain SAFT Equation of State Applied to Mixtures of Short- and Long-Chain n-Alkanes
DOI: 10.1021/IE400081A
关键词: Equation of state 、 Binary number 、 Propane 、 Vapor–liquid equilibrium 、 Methane 、 Chain (algebraic topology) 、 Chemistry 、 Flory–Huggins solution theory 、 Binodal 、 Thermodynamics
摘要: A simplified hard-chain dimer theory is employed with perturbed-chain statistical associating fluid (PC-SAFT) in calculating the vapor pressures and saturated liquid volumes of pure n-alkanes from methane to n-eicosane. Compared original PC-SAFT, developed model better agreement experimental along vapor–liquid coexistence curve critical properties n-butane toward longer n-alkanes. Predicting equilibria (VLE) binary mixtures containing a long-chain n-alkane, new describes more accurately than PC-SAFT. With no interaction parameter, adequately VLE data, particular, near points. In prediction ethane, propane, n-hexane, differences between two models become less appreciable.
acs.org
sci-hub.se 参考文章(66)
B. Armstrong, S. Angus, K.M. de Reuck, International thermodynamic tables of the fluid state. 5. Methane Pergamon Press Inc.,Elmsford, NY. ,(1978)
Walter G. Chapman, George Jackson, Keith E. Gubbins, Phase equilibria of associating fluids Molecular Physics. ,vol. 65, pp. 1057- 1079 ,(2006) , 10.1080/00268978800101601
N. B. Vargaftik, Handbook of Physical Properties of Liquids and Gases: Pure Substances and Mixtures ,(1987)
M.P.W.M. Rijkers, C.J. Peters, J. de Swaan Arons, Measurements on the phase behavior of binary mixtures for modeling the condensation behavior of natural gas Fluid Phase Equilibria. ,vol. 85, pp. 335- 345 ,(1993) , 10.1016/0378-3812(93)80023-G
Stanley H. Huang, Maciej Radosz, Equation of state for small, large, polydisperse, and associating molecules: extension to fluid mixtures Industrial & Engineering Chemistry Research. ,vol. 30, pp. 1994- 2005 ,(1991) , 10.1021/IE00056A050
Dominique Levesque, Loup Verlet, Perturbation Theory and Equation of State for Fluids Physical Review. ,vol. 182, pp. 307- 316 ,(1969) , 10.1103/PHYSREV.182.307
Felipe J. Blas, Lourdes F. Vega, Prediction of Binary and Ternary Diagrams Using the Statistical Associating Fluid Theory (SAFT) Equation of State Industrial & Engineering Chemistry Research. ,vol. 37, pp. 660- 674 ,(1998) , 10.1021/IE970449+
C. P. Hicks, C. L. Young, Gas-liquid critical properties of binary mixtures Chemical Reviews. ,vol. 75, pp. 119- 175 ,(1975) , 10.1021/CR60294A001
Alejandro Gil-Villegas, Amparo Galindo, Paul J. Whitehead, Stuart J. Mills, George Jackson, Andrew N. Burgess, Statistical associating fluid theory for chain molecules with attractive potentials of variable range Journal of Chemical Physics. ,vol. 106, pp. 4168- 4186 ,(1997) , 10.1063/1.473101
Joachim Gross, Gabriele Sadowski, Application of perturbation theory to a hard-chain reference fluid: an equation of state for square-well chains Fluid Phase Equilibria. ,vol. 168, pp. 183- 199 ,(2000) , 10.1016/S0378-3812(00)00302-2