Influence of the repulsive coefficient α and approximate corresponding states in Mie α-6 and exponential α-6 fluids.

نویسندگان

  • Guillaume Galliéro
  • Christian Boned
  • Antoine Baylaucq
  • François Montel
چکیده

3 TOTAL, CSTJF, Avenue Larribau, F-64018 Pau, France. *Corresponding author: E-mail: [email protected]; Tel: +33 1 60 95 73 07; Fax: +33 1 60 95 72 94. Abstract Nonequilibrium molecular dynamics (NEMD) simulations of the Mie α-6 and the exponential α-6 (exp α-6) fluids have been carried out for 42 thermodynamic states. Various repulsive coefficients have been studied, α ranging from 9 to 14 for the Mie α6 potentials and from 11 to 16 for the exp α-6 ones, which corresponds to a total of 603 points of simulation of stable phases. The simulations have shown that, for a given set of reduced temperature and density (using an appropriate scaling procedure), the reduced pressure varies linearly with 6 − α for the Mie α-6 potentials and with 7 − α

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تاریخ انتشار 2008