FLUCTUATION-BASED COMPUTER CALCULATION OF PARTIAL MOLAR PROPERTIES .2. A NUMERICALLY ACCURATE METHOD FOR THE DETERMINATION OF PARTIAL MOLAR ENERGIES AND ENTHALPIES

被引：18

作者：

DEBENEDETTI, PG

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1988年 / 88卷 / 04期

关键词：

D O I：

10.1063/1.453996

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：2681 / 2684

页数：4

共 15 条

[1] MOLECULAR FORMULATION OF THERMODYNAMIC FUNCTIONS ENCOUNTERED IN SOLUTION THEORY [J].

BUFF, FP ;

BROUT, R .

JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (03) :458-465

[2] ON THE RELATIONSHIP BETWEEN PRINCIPAL FLUCTUATIONS AND STABILITY COEFFICIENTS IN MULTICOMPONENT SYSTEMS [J].

DEBENEDETTI, PG .

JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (03) :1778-1787

[3]

DEBENEDETTI PG, 1987, CHEM PHYS LETT, V133, P574

[4] DERIVATION OF OPERATIONAL DEFINITIONS FOR THE COMPUTER CALCULATION OF PARTIAL MOLAR PROPERTIES IN MULTICOMPONENT MIXTURES [J].

DEBENEDETTI, PG .

CHEMICAL PHYSICS LETTERS, 1986, 132 (03) :325-330

[5] FLUCTUATION-BASED COMPUTER CALCULATION OF PARTIAL MOLAR PROPERTIES .1. MOLECULAR-DYNAMICS SIMULATION OF CONSTANT VOLUME FLUCTUATIONS [J].

DEBENEDETTI, PG .

JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (12) :7126-7137

[6] THE STATISTICAL MECHANICAL THEORY OF CONCENTRATION FLUCTUATIONS IN MIXTURES [J].

DEBENEDETTI, PG .

JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (02) :1256-1260

[7] ON THE FORMALISM OF THERMODYNAMIC FLUCTUATION THEORY [J].

GREENE, RF ;

CALLEN, HB .

PHYSICAL REVIEW, 1951, 83 (06) :1231-1235

[8] THE STATISTICAL MECHANICAL THEORY OF SOLUTIONS .1. [J].

KIRKWOOD, JG ;

BUFF, FP .

JOURNAL OF CHEMICAL PHYSICS, 1951, 19 (06) :774-777

[9]

Maitland GC, 1981, INTERMOLECULAR FORCE

[10]

MODELL M, 1983, THERMODYNAMICS ITS A

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