结合流体的简单二阶热力学摄动理论

IF 0.9 4区物理与天体物理 Q4 PHYSICS, CONDENSED MATTER

Condensed Matter Physics Pub Date : 2021-10-09 DOI:10.5488/CMP.24.33602

B. Marshall

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引用次数: 1

摘要

提出了Wertheim二阶微扰理论中的一个近似，它允许开发具有任意数量和功能的纯组分流体的通解。对于环的形成、位阻和氢键的协同性等二阶效应，该解具有封闭性、简洁性和通用性。通过与液态水氢键结构数据的对比，验证了该方法的有效性。

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A simple second order thermodynamic perturbation theory for associating fluids

An approximation within Wertheim's second order perturbation theory is proposed which allows for the development of a general solution for pure component fluids with an arbitrary number and functionality of association sites. The solution is closed, concise and general for all second order effects such as ring formation, steric hindrance and hydrogen bond cooperativity. The approach is validated by comparison to hydrogen bond structure data for liquid water.

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来源期刊

Condensed Matter Physics 物理-物理：凝聚态物理

CiteScore

1.10

自引率

16.70%

发文量

审稿时长

1 months

期刊介绍： Condensed Matter Physics contains original and review articles in the field of statistical mechanics and thermodynamics of equilibrium and nonequilibrium processes, relativistic mechanics of interacting particle systems.The main attention is paid to physics of solid, liquid and amorphous systems, phase equilibria and phase transitions, thermal, structural, electric, magnetic and optical properties of condensed matter. Condensed Matter Physics is published quarterly.