A MOLECULAR-DYNAMICS STUDY OF THE INFLUENCE OF ELONGATION AND QUADRUPOLE-MOMENT UPON SOME THERMODYNAMIC AND TRANSPORT-PROPERTIES OF LINEAR HETERONUCLEAR TRIATOMIC FLUIDS

被引：7

作者：

CHIALVO, AA ^{[1
]}

HEATH, DL ^{[1
]}

DEBENEDETTI, PG ^{[1
]}

机构：

[1] PRINCETON UNIV,DEPT CHEM ENGN,PRINCETON,NJ 08544

来源：

JOURNAL OF CHEMICAL PHYSICS | 1989年 / 91卷 / 12期

关键词：

D O I：

10.1063/1.457250

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：7818 / 7830

页数：13

共 41 条

[11] SINGULARITY FREE ALGORITHM FOR MOLECULAR-DYNAMICS SIMULATION OF RIGID POLYATOMICS [J].

EVANS, DJ ;

MURAD, S .

MOLECULAR PHYSICS, 1977, 34 (02) :327-331

[12] NON-EQUILIBRIUM MOLECULAR-DYNAMICS VIA GAUSS PRINCIPLE OF LEAST CONSTRAINT [J].

EVANS, DJ ;

HOOVER, WG ;

FAILOR, BH ;

MORAN, B ;

LADD, AJC .

PHYSICAL REVIEW A, 1983, 28 (02) :1016-1021

[13]

Gauss K. F., 1829, J REINE ANGEW MATH, V4, P232

[14]

Gear C. W., 1971, NUMERICAL INITIAL VA

[15]

Goldstein H., 1980, CLASSICAL MECH

[16]

Gray C.G., 1984, THEORY MOL FLUIDS, P83

[17] EXTENSIONS OF THE MOLECULAR-DYNAMICS SIMULATION METHOD .2. ISOTHERMAL SYSTEMS [J].

HAILE, JM ;

GUPTA, S .

JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (06) :3067-3076

[18]

HANSEN JP, 1986, THEORY SIMPLE LIQUID, P40501

[19] EFFECT OF THE MOLECULE SHAPE ON THE DIFFUSION IN MOLECULAR FLUIDS - MOLECULAR-DYNAMICS CALCULATION RESULTS FOR SF6-C6H6 AND A RELATED MODEL SOLUTION [J].

HOHEISEL, C .

JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (12) :7457-7461

[20] THERMAL TRANSPORT-COEFFICIENTS FOR ONE-COMPONENT AND 2-COMPONENT LIQUIDS FROM TIME CORRELATION-FUNCTIONS COMPUTED BY MOLECULAR-DYNAMICS [J].

HOHEISEL, C ;

VOGELSANG, R .

COMPUTER PHYSICS REPORTS, 1988, 8 (01) :1-69

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