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PRIMITIVE MODELS OF ASSOCIATED LIQUIDS - EQUATION OF STATE, LIQUID GAS-PHASE TRANSITION, AND PERCOLATION-THRESHOLD
被引:42
作者:
KOLAFA, J
NEZBEDA, I
机构:
[1] Institute of Chemical Process Fundamentals, Czechoslovak Academy of Sciences, Prague 6
关键词:
D O I:
10.1080/00268979100100551
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:
An analytic equation of state of an arbitrary primitive model of associated liquids, based on Wertheim's thermodynamic perturbation theory, is given. The equations for the models of ammonia (spherical core) and methanol (non-spherical core) are then examined in detail, and it is shown that they give only one fluid phase. An attempt is made to link this result to the H-bond network: using the Cayley tree approximation no percolation threshold has been found for these two models, i.e. their molecules may form clusters of finite size only. This finding contrasts with the result for the model of water which may form infinite clusters and exhibits the liquid-gas phase transition.
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页码:777 / 785
页数:9
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