Antoine Baylaucq

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In this work, using molecular dynamics simulation, the viscosity (dynamic property) and the pressure (static property) of spherical fluid particles interacting through Lennard-Jones -6 and exponential -6 potentials are computed. Simulations are performed for going from 10 to 20 for the Lennard-Jones potential and from 12 to 22 for the exponential one. Six(More)
A free-volume and friction viscosity model is presented versus pressure and temperature, valid for both gaseous and dense fluids. This model involves only three adjustable parameters for each pure compound. It is able to represent the gas-liquid transition and the behavior in the supercritical conditions. The model has been successfully applied to methane(More)
3 TOTAL, CSTJF, Avenue Larribau, F-64018 Pau, France. *Corresponding author: E-mail:; 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(More)
The viscosity of the binary system ethanol + n-heptane has been measured with a falling-body viscometer for seven compositions as well as for the pure compounds in the temperature range (293.15 to 353.15) K and up to 100 MPa with an experimental uncertainty of 2%. At 0.1 MPa the viscosity has been measured with a classical capillary viscometer (Ubbelohde)(More)
1 Molecular dynamics simulation of acid gas mixtures: a comparison between several approximations. ABSTRACT Molecular dynamics simulations of CH 4 , CO 2 , H 2 S and their mixtures, chosen as representative of acid gas mixtures, have been performed. Static properties (pressure or density) and dynamic properties (shear viscosity) have been computed. A(More)
In this work, a simultaneous modeling of the self-diffusion coefficient and the dynamic viscosity is presented. In the microstructural theory these two quantities are governed by the same friction coefficient related to the mobility of the molecule. A recent free-volume model, already successfully applied to dynamic viscosity, has been considered and(More)
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