PRIMITIVE MODEL ELECTROLYTES .2. THE SYMMETRICAL ELECTROLYTE

被引:149
作者
VALLEAU, JP
COHEN, LK
CARD, DN
机构
[1] Lash Miller Chemical Laboratories, University of Toronto, Toronto
关键词
D O I
10.1063/1.439093
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
Canonical Monte Carlo results are reported for the 2:2 aqueous electrolyte in the primitive model. The various theories of dilute coulombic systems are compared with canonical and grand canonical Monte Carlo data on the thermodynamics and structure of this system: HNC, BGY, MPB, and ORPA+B 2 are comparably successful, most other theories less so. The MC results show that there are many triple ions or larger clusters even at low concentrations. The problem of extrapolating experimental thermodynamic data for 2:2 electrolytes is discussed. © 1980 American Institute of Physics.
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页码:5942 / 5954
页数:13
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