文献类型：期刊文献

英文题名：A MODEL-FREE METHOD FOR CALCULATING VAPOR-LIQUID-EQUILIBRIA FOR MULTICOMPONENT SYSTEMS FROM TOTAL-PRESSURE OR BOILING-POINT DATA

作者：HU, Y; LIU, HL; PRAUSNITZ, JM

机构：[1]UNIV CALIF BERKELEY,DEPT CHEM ENGN,BERKELEY,CA 94720;[2]E CHINA UNIV SCI & TECHNOL,THERMODYNAM RES LAB,SHANGHAI 200237,PEOPLES R CHINA;[3]LAWRENCE BERKELEY LAB,DIV CHEM SCI,BERKELEY,CA 94720

年份：1994

卷号：95

起止页码：73

外文期刊名：FLUID PHASE EQUILIBRIA

收录：;WOS:【SCI-EXPANDED(收录号:WOS:A1994NK30500006)】；

语种：英文

外文关键词：THEORY; METHODS OF CALCULATION; VAPOR LIQUID EQUILIBRIA; TOTAL-PRESSURE DATA; BOILING-POINT DATA; MULTICOMPONENT SYSTEMS

摘要：A curved-surface spline function is used to describe the reduced excess Gibbs energy for multicomponent liquid mixtures in a model-free thermodynamic method for calculating vapor compositions from experimental temperatures, pressures and liquid compositions. A Newton-Raphson iteration procedure modified by Broyden is used for solving the method's nonlinear equations. The method is illustrated with calculations for a variety of binaries, ternaries and two quaternaries at low or moderate pressures; these calculations indicate that this new method is both stable and reliable. Calculated vapor compositions are in good agreement with experiment. The method converges rapidly and has no special requirements for selecting initial guesses. The method may be used for either isothermal or isobaric data.