受限原始模型电解质中线性修正泊松-玻尔兹曼理论的结构和热力学

IF 0.9 4区 物理与天体物理 Q4 PHYSICS, CONDENSED MATTER Condensed Matter Physics Pub Date : 2021-06-25 DOI:10.5488/CMP.24.23801
L. B. Bhuiyan
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引用次数: 3

摘要

结构和热力学的限制原始模型电解质使用三个最近发展的版本的线性形式修正泊松-玻尔兹曼方程。得到了渗透系数和平均活度系数的电性部分的解析表达式,并将渗透系数和平均活度系数的计算结果与更成熟的平均球面近似、对称泊松-玻尔兹曼理论、修正泊松-玻尔兹曼理论和现有的蒙特卡罗模拟结果进行了比较。线性理论对热力学的预测相对于模拟具有显著的精度,并且与平均球面近似和修正泊松-玻尔兹曼结果相一致。以径向分布函数和平均静电势的形式预测的结构也与形式理论的相应结果相比较。对于平均球面近似和线性修正泊松-玻尔兹曼理论,多余内能和平均活度系数的电性部分在解析上是相同的。
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Structure and thermodynamics in the linear modified Poisson-Boltzmann theories in restricted primitive model electrolytes
Structure and thermodynamics in restricted primitive model electrolytes are examined using three recently developed versions of a linear form of the modified Poisson-Boltzmann equation. Analytical expressions for the osmotic coefficient and the electrical part of the mean activity coefficient are obtained and the results for the osmotic and the mean activity coefficients are compared with that from the more established mean spherical approximation, symmetric Poisson-Boltzmann, modified Poisson-Boltzmann theories, and available Monte Carlo simulation results. The linear theories predict the thermodynamics to a remarkable degree of accuracy relative to the simulations and are consistent with the mean spherical approximation and modified Poisson-Boltzmann results. The predicted structure in the form of the radial distribution functions and the mean electrostatic potential also compare well with the corresponding results from the formal theories. The excess internal energy and the electrical part of the mean activity coefficient are shown to be identical analytically for the mean spherical approximation and the linear modified Poisson-Boltzmann theories.
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来源期刊
Condensed Matter Physics
Condensed Matter Physics 物理-物理:凝聚态物理
CiteScore
1.10
自引率
16.70%
发文量
17
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.
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