Computation and modeling of critical phenomena with the perturbed chain-statistical associating fluid theory equation of state

作者: Pedro F. Arce , Martín Aznar

DOI: 10.1016/J.SUPFLU.2007.07.006

关键词:

摘要: Abstract Critical phenomena such as co-solvency, miscibility windows and two-phase holes in the three-phase surfaces can be of great importance industrial applications near-critical supercritical technology, since they occur a range temperatures, pressures compositions where technological processes are carried out. They also very important for mapping transitions between different types fluid phase behavior. In this work, perturbed chain-statistical associating theory (PC-SAFT) equation state was used to model critical various ternary systems their respective binary subsystems (which include n -alkanes, -alkanols, aromatic alcohols carbon dioxide) by fitting interaction parameters ( k ij ). The experimental data covered temperatures practical interest engineering. Results were compared with obtained from literature an excellent agreement obtained. An algorithm calculate numerically double endpoints tricritical points according thermodynamic definitions developed.

参考文章(52)
John D. Hottovy, Kraemer D. Luks, James P. Kohn, Three-phase liquid-liquid-vapor equilibriums behavior of certain binary carbon dioxide-n-paraffin systems Journal of Chemical & Engineering Data. ,vol. 26, pp. 256- 258 ,(1981) , 10.1021/JE00025A009
R. Paul Singh, Prabir K. Chandra, Applied Numerical Methods for Food and Agricultural Engineers ,(1994)
Walter G. Chapman, George Jackson, Keith E. Gubbins, Phase equilibria of associating fluids Molecular Physics. ,vol. 65, pp. 1057- 1079 ,(2006) , 10.1080/00268978800101601
F. Munoz, E. H. Chimowitz, Critical phenomena in mixtures. I. Thermodynamic theory for the binary critical azeotrope Journal of Chemical Physics. ,vol. 99, pp. 5438- 5449 ,(1993) , 10.1063/1.465987
C.J. Peters, L.J. Florusse, S. Hähre, Measurements on fluid multiphase equilibria in ternary mixtures of carbon dioxide, tetradecane, and certain N-alkanols Journal of Supercritical Fluids. ,vol. 9, pp. 135- 140 ,(1996) , 10.1016/S0896-8446(96)90023-6
Andre Hütz, Franz Peter Schmitz, Dietger Leyendecker, Ernst Klesper, Effects of temperature, pressure, and density on the chromatographic behavior of supercritical carbon dioxide Journal of Supercritical Fluids. ,vol. 3, pp. 1- 7 ,(1990) , 10.1016/0896-8446(90)90042-K
Bruce F. Kohse, Robert A. Heidemann, Computation of tricritical points in ternary systems Aiche Journal. ,vol. 39, pp. 1242- 1256 ,(1993) , 10.1002/AIC.690390714
B.F. Kohse, R.A. Heidemann, Tricritical lines and multiphase equilibria in quaternary mixtures Fluid Phase Equilibria. ,vol. 75, pp. 11- 22 ,(1992) , 10.1016/0378-3812(92)87003-6
Josefa García, Luis Lugo, Josefa Fernández, Phase Equilibria, PVT Behavior, and Critical Phenomena in Carbon Dioxide + n-Alkane Mixtures Using the Perturbed-Chain Statistical Associating Fluid Theory Approach Industrial & Engineering Chemistry Research. ,vol. 43, pp. 8345- 8353 ,(2004) , 10.1021/IE049691O