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2022-03-04
摘要翻译:
聚合物链在稀溶液中的两体相互作用可以用有效有界势来模拟,最简单的有界势是可穿透球的有界势。本文构造了两个简单的PS流体结构性质的解析理论:低温(LT)近似和高温(HT)近似,前者可以看作是硬球Percus-Yevick(PY)方程的PSs解的推广,后者基于无限温度极限的精确渐近性态。在不同的温度和密度下进行了蒙特卡罗模拟,以评估这两种理论的有效性。结果发现,尽管HT和LT近似简单,但在各自的适用范围内,它们与模拟数据显示出相当的一致性,从而相互补充。并与PY和超网链近似的数值解进行了比较,后者在低温下除核内外表现出很好的性能。
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英文标题:
《Low-temperature and high-temperature approximations for
  penetrable-sphere fluids. Comparison with Monte Carlo simulations and
  integral equation theories》
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作者:
Alexandr Malijevsky, Santos B. Yuste, and Andres Santos
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最新提交年份:
2007
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分类信息:

一级分类:Physics        物理学
二级分类:Soft Condensed Matter        软凝聚态物质
分类描述:Membranes, polymers, liquid crystals, glasses, colloids, granular matter
膜,聚合物,液晶,玻璃,胶体,颗粒物质
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一级分类:Physics        物理学
二级分类:Statistical Mechanics        统计力学
分类描述:Phase transitions, thermodynamics, field theory, non-equilibrium phenomena, renormalization group and scaling, integrable models, turbulence
相变,热力学,场论,非平衡现象,重整化群和标度,可积模型,湍流
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一级分类:Physics        物理学
二级分类:Chemical Physics        化学物理学
分类描述:Experimental, computational, and theoretical physics of atoms, molecules, and clusters - Classical and quantum description of states, processes, and dynamics; spectroscopy, electronic structure, conformations, reactions, interactions, and phases. Chemical thermodynamics. Disperse systems. High pressure chemistry. Solid state chemistry. Surface and interface chemistry.
原子、分子和团簇的实验、计算和理论物理-状态、过程和动力学的经典和量子描述;光谱学,电子结构,构象,反应,相互作用和相。化学热力学。分散系统。高压化学。固态化学。表面和界面化学。
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英文摘要:
  The two-body interaction in dilute solutions of polymer chains in good solvents can be modeled by means of effective bounded potentials, the simplest of which being that of penetrable spheres (PSs). In this paper we construct two simple analytical theories for the structural properties of PS fluids: a low-temperature (LT) approximation, that can be seen as an extension to PSs of the well-known solution of the Percus-Yevick (PY) equation for hard spheres, and a high-temperature (HT) approximation based on the exact asymptotic behavior in the limit of infinite temperature. Monte Carlo simulations for a wide range of temperatures and densities are performed to assess the validity of both theories. It is found that, despite their simplicity, the HT and LT approximations exhibit a fair agreement with the simulation data within their respective domains of applicability, so that they complement each other. A comparison with numerical solutions of the PY and the hypernetted-chain approximations is also carried out, the latter showing a very good performance, except inside the core at low temperatures.
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PDF链接:
https://arxiv.org/pdf/705.1069
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