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Effect of pairwise additivity on finite-temperature behavior of classical ideal gas

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  • Shekaari, Ashkan
  • Jafari, Mahmoud

Abstract

Finite-temperature molecular dynamics simulations have been applied to inquire into the effect of pairwise additivity on the behavior of classical ideal gas within the temperature range of T= 250–4000 K via applying a variety of pair potentials and then examining the temperature dependence of a number of thermodynamical properties. Examining the compressibility factor reveals the most deviation from ideal-gas behavior for the Lennard-Jones system mainly due to the presence of both the attractive and repulsive terms. The systems with either attractive or repulsive intermolecular potentials are found to present no resemblance to real gases, but the most similarity to the ideal one as temperature rises.

Suggested Citation

  • Shekaari, Ashkan & Jafari, Mahmoud, 2018. "Effect of pairwise additivity on finite-temperature behavior of classical ideal gas," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 497(C), pages 101-108.
    • Handle: RePEc:eee:phsmap:v:497:y:2018:i:c:p:101-108
    DOI: 10.1016/j.physa.2018.01.016
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    Cited by:

    1. Shekaari, Ashkan & Jafari, Mahmoud, 2019. "Statistical mechanical modeling of a DNA nanobiostructure at the base-pair level," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 518(C), pages 80-88.

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