3 PHASE FLASH CALCULATIONS USING FREE-ENERGY MINIMIZATION

被引：32
|
作者：
SOARES, ME [1 ]
MEDINA, AG [1 ]
MCDERMOTT, C [1 ]
ASHTON, N [1 ]
机构：
[1] UNIV BIRMINGHAM,DEPT CHEM ENGN,BIRMINGHAM B15 2TT,W MIDLANDS,ENGLAND
来源：
CHEMICAL ENGINEERING SCIENCE | 1982年 / 37卷 / 04期
关键词：
D O I：
10.1016/0009-2509(82)80114-0
中图分类号：
TQ [化学工业];
学科分类号：
0817 ;
摘要：
引用
收藏
页码：521 / 528
页数：8
相关论文
共 50 条
  • [31] FREE-ENERGY CALCULATIONS BY COMPUTER-SIMULATION
    BASH, PA
    SINGH, UC
    LANGRIDGE, R
    KOLLMAN, PA
    SCIENCE, 1987, 236 (4801) : 564 - 568
  • [32] A Toolkit for the Analysis of Free-Energy Perturbation Calculations
    Liu, Peng
    Dehez, Francois
    Cai, Wensheng
    Chipot, Christophe
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2012, 8 (08) : 2606 - 2616
  • [33] Practical Aspects of Free-Energy Calculations: A Review
    Hansen, Niels
    van Gunsteren, Wilfred F.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2014, 10 (07) : 2632 - 2647
  • [34] DIRECT FREE-ENERGY CALCULATIONS FOR CLATHRATE HYDRATES
    WESTACOTT, RE
    RODGER, PM
    INTERNATIONAL CONFERENCE ON NATURAL GAS HYDRATES, 1994, 715 : 537 - 539
  • [35] Free-Energy Calculations with Metadynamics: Theory and Practice
    Bussi, Giovanni
    Branduardi, Davide
    REVIEWS IN COMPUTATIONAL CHEMISTRY, VOL 28, 2015, 28 : 1 - 49
  • [36] FREE-ENERGY CALCULATIONS IN PROTEIN FOLDING AND DESIGN
    EISENBERG, D
    WILCOX, W
    CONWAY, JD
    YAMASHITA, M
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1986, 192 : 1 - PHYS
  • [37] PHASE-EQUILIBRIUM OF MULTICOMPONENT MIXTURES - CONTINUOUS MIXTURE GIBBS FREE-ENERGY MINIMIZATION AND PHASE RULE
    DU, PC
    MANSOORI, GA
    CHEMICAL ENGINEERING COMMUNICATIONS, 1987, 54 (1-6) : 139 - 148
  • [38] Two-phase flash for tight porous media by minimization of the Helmholtz free energy
    Achour, Sofiane Haythem
    Okuno, Ryosuke
    FLUID PHASE EQUILIBRIA, 2021, 534
  • [39] MICRODOMAIN STRUCTURES IN POLYELECTROLYTE SYSTEMS - CALCULATION OF THE PHASE-DIAGRAMS BY DIRECT MINIMIZATION OF THE FREE-ENERGY
    NYRKOVA, IA
    KHOKHLOV, AR
    DOI, M
    MACROMOLECULES, 1994, 27 (15) : 4220 - 4230
  • [40] PHYSICOCHEMICAL SIMULATION OF HYDROTHERMAL SYSTEMS BY MEANS OF FREE-ENERGY MINIMIZATION METHOD USING COMPUTERS
    KARPOV, IK
    KAZMIN, LA
    DOKLADY AKADEMII NAUK SSSR, 1972, 205 (02): : 449 - &
12345