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四维和五维硬超球混合物的状态方程

Equation of State of Four- and Five-Dimensional Hard-Hypersphere Mixtures.

作者信息

López de Haro Mariano, Santos Andrés, B Yuste Santos

机构信息

Instituto de Energías Renovables, Universidad Nacional Autónoma de México (U.N.A.M.), Temixco, Morelos 62580, Mexico.

Departamento de Física and Instituto de Computación Científica Avanzada (ICCAEx), Universidad de Extremadura, E-06006 Badajoz, Spain.

出版信息

Entropy (Basel). 2020 Apr 20;22(4):469. doi: 10.3390/e22040469.

DOI:10.3390/e22040469
PMID:33286243
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7516954/
Abstract

New proposals for the equation of state of four- and five-dimensional hard-hypersphere mixtures in terms of the equation of state of the corresponding monocomponent hard-hypersphere fluid are introduced. Such proposals (which are constructed in such a way so as to yield the exact third virial coefficient) extend, on the one hand, recent similar formulations for hard-disk and (three-dimensional) hard-sphere mixtures and, on the other hand, two of our previous proposals also linking the mixture equation of state and the one of the monocomponent fluid but unable to reproduce the exact third virial coefficient. The old and new proposals are tested by comparison with published molecular dynamics and Monte Carlo simulation results and their relative merit is evaluated.

摘要

提出了关于四维和五维硬超球混合物状态方程的新提议,该提议是根据相应单组分硬超球流体的状态方程得出的。这些提议(其构建方式能得出精确的第三维里系数)一方面扩展了近期关于硬磁盘和(三维)硬球混合物的类似公式,另一方面也扩展了我们之前的两个提议,这两个提议同样将混合物状态方程与单组分流体的状态方程联系起来,但无法重现精确的第三维里系数。通过与已发表的分子动力学和蒙特卡罗模拟结果进行比较,对新旧提议进行了检验,并评估了它们的相对优点。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f2d6/7516954/7da4fcdbd313/entropy-22-00469-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f2d6/7516954/885a9f8847f8/entropy-22-00469-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f2d6/7516954/2aeaf06d0e7b/entropy-22-00469-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f2d6/7516954/10ba1e514785/entropy-22-00469-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f2d6/7516954/03a73df66d5b/entropy-22-00469-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f2d6/7516954/04372abb9f12/entropy-22-00469-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f2d6/7516954/b8810d2d7123/entropy-22-00469-g006a.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f2d6/7516954/33cd0a010d0b/entropy-22-00469-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f2d6/7516954/7da4fcdbd313/entropy-22-00469-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f2d6/7516954/885a9f8847f8/entropy-22-00469-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f2d6/7516954/2aeaf06d0e7b/entropy-22-00469-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f2d6/7516954/10ba1e514785/entropy-22-00469-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f2d6/7516954/03a73df66d5b/entropy-22-00469-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f2d6/7516954/04372abb9f12/entropy-22-00469-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f2d6/7516954/b8810d2d7123/entropy-22-00469-g006a.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f2d6/7516954/33cd0a010d0b/entropy-22-00469-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f2d6/7516954/7da4fcdbd313/entropy-22-00469-g008.jpg

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本文引用的文献

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Phys Rev E. 2019 Mar;99(3-1):031301. doi: 10.1103/PhysRevE.99.031301.
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Random close packing from hard-sphere Percus-Yevick theory.硬球 Percus-Yevick 理论的随机密堆积。
Phys Rev E. 2019 Jan;99(1-1):012146. doi: 10.1103/PhysRevE.99.012146.
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Equation of state of polydisperse hard-disk mixtures in the high-density regime.多分散硬磁盘混合物在高密度 regime 下的状态方程。
Phys Rev E. 2017 Dec;96(6-1):062603. doi: 10.1103/PhysRevE.96.062603. Epub 2017 Dec 6.
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Five dimensional binary hard hypersphere mixtures: A Monte Carlo study.五维二元硬超球混合物:一项蒙特卡洛研究。
J Chem Phys. 2016 Oct 21;145(15):154502. doi: 10.1063/1.4964614.
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Simple effective rule to estimate the jamming packing fraction of polydisperse hard spheres.用于估算多分散硬球堵塞堆积分数的简单有效规则。
Phys Rev E Stat Nonlin Soft Matter Phys. 2014 Apr;89(4):040302. doi: 10.1103/PhysRevE.89.040302. Epub 2014 Apr 30.
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Precise algorithm to generate random sequential addition of hard hyperspheres at saturation.用于在饱和状态下生成硬超球体随机顺序添加的精确算法。
Phys Rev E Stat Nonlin Soft Matter Phys. 2013 Nov;88(5):053312. doi: 10.1103/PhysRevE.88.053312. Epub 2013 Nov 25.
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Phase transitions in four-dimensional binary hard hypersphere mixtures.四维双硬球混合物的相变。
J Chem Phys. 2013 Feb 28;138(8):084502. doi: 10.1063/1.4789953.
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Class of consistent fundamental-measure free energies for hard-sphere mixtures.硬球混合物的一致基本度量自由能类。
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Note: An exact scaling relation for truncatable free energies of polydisperse hard-sphere mixtures.注意:关于多分散硬球混合物可截断自由能的精确标度关系。
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