CALCULATION OF THE THERMODYNAMIC PROPERTIES OF MODEL MIXTURES BY MONTE-CARLO SIMULATION

被引：6

作者：

FUJIHARA, I ^{[1
]}

NAKANISHI, K ^{[1
]}

机构：

[1] KYOTO UNIV,FAC ENGN,DEPT POLYMER CHEM,SAKYO KU,KYOTO 60601,JAPAN

来源：

FLUID PHASE EQUILIBRIA | 1995年 / 104卷

关键词：

MONTE CARLO; EXCESS ENTHALPY; EXCESS VOLUME; LENNARD-JONES;

D O I：

10.1016/0378-3812(94)02659-O

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

Monte Carlo calculations in NTP ensemble have been carried out for model monatomic mixtures to investigate thermodynamic properties such as excess molar volumes and excess molar enthalpies near or at the supercritical region. The sizes of network structures defined by the intermolecular distance were obtained to study the solution structures.

引用

页码：341 / 348

页数：8

共 8 条

[1] GENERALIZED EQUATION OF STATE FOR LENNARD-JONES FLUIDS .1. PURE FLUIDS AND SIMPLE MIXTURES [J].

ADACHI, Y ;

FIJIHARA, I ;

TAKAMIYA, M ;

NAKANISHI, K .

FLUID PHASE EQUILIBRIA, 1988, 39 (01) :1-38

[2] THE EXCESS MOLAR ENTHALPIES OF [XCO2 + (1-X)(0.5CH3(CH2)4CH3 + 0.5CH3(CH2)10CH3)] AT THE TEMPERATURES (308.15, 323.15, 373.15, AND 413.15)-K AND AT THE PRESSURES 7.50 MPA AND 12.50 MPA, AND OF (XCO2 + (1-X)CH3(CH2)7CH3) AT 373.15-K AND 7.50 MPA AND 12.50 MPA [J].

CORDRAY, DR ;

GUNDERSON, LD ;

CHRISTENSEN, JJ ;

OSCARSON, JL ;

IZATT, RM .

JOURNAL OF CHEMICAL THERMODYNAMICS, 1991, 23 (10) :941-949

[3] EQUATION OF STATE CALCULATIONS BY FAST COMPUTING MACHINES [J].

METROPOLIS, N ;

ROSENBLUTH, AW ;

ROSENBLUTH, MN ;

TELLER, AH ;

TELLER, E .

JOURNAL OF CHEMICAL PHYSICS, 1953, 21 (06) :1087-1092

[4] PVT RELATION AND DENSITY-DEPENDENT LOCAL COMPOSITION FOR SUPERCRITICAL AND SUBCRITICAL FLUID MIXTURES OF LENNARD-JONES MOLECULES [J].

NAKANISHI, K ;

ADACHI, Y ;

FUJIHARA, I .

FLUID PHASE EQUILIBRIA, 1986, 29 :347-355

[5] EXCESS-ENTHALPIES FOR (PROPANE + PROPAN-1-OL) AT (298.15, 323.15, 363.15, AND 368.15) K AND AT 5 MPA AND 15 MPA [J].

SIPOWSKA, JT ;

OTT, JB ;

WOOLLEY, AT ;

IZATT, RM .

JOURNAL OF CHEMICAL THERMODYNAMICS, 1990, 22 (12) :1159-1164

[6] CALCULATION ON A CORRESPONDING STATES BASIS OF VOLUME CHANGE ON MIXING SIMPLE LIQUIDS [J].

STREETT, WB ;

STAVELEY, LA .

JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (07) :2449-&

[7] EXCESS-ENTHALPIES OF (CARBON DIOXIDE+PENTANE OR HEXANE OR HEPTANE OR CYCLOHEXANE OR BENZENE) (G) AT TEMPERATURES FROM 432.2-K TO 573.2-K AND PRESSURES UP TO 2.71 MPA [J].

WORMALD, CJ ;

SMITH, GR .

JOURNAL OF CHEMICAL THERMODYNAMICS, 1992, 24 (05) :481-492

[8] EXCESS MOLAR ENTHALPIES AND EXCESS MOLAR VOLUMES OF (XCO2+(1-X)C2H6) UP TO 308.4-K AND 11.0 MPA [J].

WORMALD, CJ ;

EYEARS, JM .

JOURNAL OF CHEMICAL THERMODYNAMICS, 1988, 20 (03) :323-331

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