Literature DB >> 26233142

Eighth to sixteenth virial coefficients of the Lennard-Jones model.

Chao Feng1, Andrew J Schultz2, Vipin Chaudhary1, David A Kofke2.   

Abstract

We calculated virial coefficients BN, 8 ≤ N ≤ 16, of the Lennard-Jones (LJ) model using both the Mayer-sampling Monte Carlo method and direct generation of configurations, with Wheatley's algorithm for summation of clusters. For N = 8, 24 values are reported, and for N = 9, 12 values are reported, both for temperatures T in the range 0.6 ≤ T ≤ 40.0 (in LJ units). For each N in 10 ≤ N ≤ 16, one to four values are reported for 0.6 ≤ T ≤ 0.9. An approximate functional form for the temperature dependence of BN was developed, and fits of LJ BN(T) based on this form are presented for each coefficient, 4 ≤ N ≤ 9, using new and previously reported data.

Entities:  

Year:  2015        PMID: 26233142     DOI: 10.1063/1.4927339

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  2 in total

1.  Communication: Predicting virial coefficients and alchemical transformations by extrapolating Mayer-sampling Monte Carlo simulations.

Authors:  Harold W Hatch; Sally Jiao; Nathan A Mahynski; Marco A Blanco; Vincent K Shen
Journal:  J Chem Phys       Date:  2017-12-21       Impact factor: 3.488

2.  Molecular Calculation of the Critical Parameters of Classical Helium.

Authors:  Richard A Messerly; Navneeth Gokul; Andrew J Schultz; David A Kofke; Allan H Harvey
Journal:  J Chem Eng Data       Date:  2019       Impact factor: 2.694

  2 in total

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