Simulation and model development for the equation of state of self-assembling nonadditive hard chains

被引：10

作者：

Abu-Sharkh, BF ^{[1
]}

Hamad, EZ ^{[1
]}

机构：

[1] King Fahd Univ Petr & Minerals, Dept Chem Engn, Dhahran 31261, Saudi Arabia

来源：

MACROMOLECULES | 2000年 / 33卷 / 04期

关键词：

D O I：

10.1021/ma990843e

中图分类号：

O63 [高分子化学（高聚物）];

学科分类号：

070305 ; 080501 ; 081704 ;

摘要：

Molecular dynamics simulations for short hard chains interacting with nonadditive size interactions were performed. Different densities and nonadditivities were used. Microphase separation was observed at high density and positive nonadditivity for diblock copolymers but not for alternating copolymers. The equation of state for these chains was also investigated, and a model was developed to predict the compressibility factor.

引用

页码：1345 / 1350

页数：6

共 29 条

[21]

SCHOUTEN JA, 1985, CHEM PHYS LETT, V114, P40

[22] Molecular dynamics study of entangled hard-chain fluids [J].

Smith, SW ;

Hall, CK ;

Freeman, BD .

JOURNAL OF CHEMICAL PHYSICS, 1996, 104 (14) :5616-5637

[23]

SMITH W, DL POLY PARALLEL MOL

[24] SCALED PARTICLE THEORY FOR NON-ADDITIVE HARD SPHERES - SOLUTIONS FOR GENERAL POSITIVE NON-ADDITIVITY [J].

TENNE, R ;

BERGMANN, E .

PHYSICAL REVIEW A, 1978, 17 (06) :2036-2045

[25] HIGH-TEMPERATURE HIGH-PRESSURE EXPERIMENTS ON H2O-N2 [J].

VANHINSBERG, MGE ;

VERBRUGGE, R ;

SCHOUTEN, JA .

FLUID PHASE EQUILIBRIA, 1993, 88 :115-121

[26] FLUIDS WITH HIGHLY DIRECTIONAL ATTRACTIVE FORCES .4. EQUILIBRIUM POLYMERIZATION [J].

WERTHEIM, MS .

JOURNAL OF STATISTICAL PHYSICS, 1986, 42 (3-4) :477-492

[27] THERMODYNAMIC PERTURBATION-THEORY OF POLYMERIZATION [J].

WERTHEIM, MS .

JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (12) :7323-7331

[28] FLUIDS WITH HIGHLY DIRECTIONAL ATTRACTIVE FORCES .1. STATISTICAL THERMODYNAMICS [J].

WERTHEIM, MS .

JOURNAL OF STATISTICAL PHYSICS, 1984, 35 (1-2) :19-34

[29] COMPUTER-SIMULATION STUDY OF LIQUID-CRYSTAL FORMATION IN A SEMIFLEXIBLE SYSTEM OF LINKED HARD-SPHERES [J].

WILSON, MR ;

ALLEN, MP .

MOLECULAR PHYSICS, 1993, 80 (02) :277-295

← 1 2 3 →