
Accession Number : AD0714499
Title : Multicomponent VaporLiquid Equilibria Computation.
Descriptive Note : Technical rept.,
Corporate Author : CULLEN COLL OF ENGINEERING HOUSTON TEX
Personal Author(s) : Williams,Raymond A. ; Henley,Ernest J.
Report Date : AUG 1969
Pagination or Media Count : 284
Abstract : The report is concerned with the development of a comprehensive computer program for the estimation of multicomponent vaporliquid equilibria in two phase systems at low to moderate pressures. The system which was developed is referred to as 'the KVALUE routines.' The KVALUE routines consist of approximately 2,000 FORTRAN instructions which require 21,454 words of storage when loaded into an IBM 360/44. Included in the text discussion are the following topics: the thermodynamic criteria for equilibrium, the computation of vapor phase fugacity coefficients using both the virial and the RedlichKwong equations of state, the correlation of activity coefficients to liquid phase composition via the equations of Wilson, Van Laar, and Hildebrand, the calculation of standardstate fugacities from thermodynamic considerations and from the popular ChaoSeader correlation, and techniques for evaluating the necessary physical properties and parameters. Also included is a discussion of Marquardt's method and the manner in which this algorithmic process is implemented to obtain a solution to the system of nonlinear equations which must be solved when estimating multicomponent vaporliquid equilibria. (Author)
Descriptors : (*PHASE STUDIES, *COMPUTER PROGRAMS), VAPORS, LIQUIDS, THERMODYNAMICS, CURVE FITTING, SUBROUTINES, THESES
Subject Categories : Computer Programming and Software
Thermodynamics
Distribution Statement : APPROVED FOR PUBLIC RELEASE