Structural properties of liquid acetone

被引：13

作者：

Bushuev, YG

Dovletbaeva, SV

机构：

[1] Ivanovo State Univ Chem & Technol, Ivanovo, Russia

[2] Russian Acad Sci, Inst Chem Solut, Ivanovo 153045, Russia

来源：

RUSSIAN CHEMICAL BULLETIN | 1999年 / 48卷 / 01期

关键词：

organic solvents; acetone; structure of liquid; intermolecular interactions; computer simulation of liquids; Monte Carlo method;

D O I：

10.1007/BF02494395

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Monte Carlo simulation of liquid acetone was carried out. The effect of electrostatic and van der Waals interactions on the regularities of mutual arrangement of the molecules was studied. Spatial structure of Liquid acetone is determined by the molecular shape, repulsive intermolecular interactions, and steric factors and is close to the structure of a random closely packed system of soft spheres. Electrostatic interactions affect only the mutual orientation of the molecules.

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页码：25 / 34

页数：10

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