Transport properties, in particular shear viscosity, are key physical properties for petroleum reservoir simulations and the design of a large number of petroleum facilities. However, there is no rigorous theory is yet available for an exact representation of transport properties for all fluid states in terms of the parameters of a molecular model, i.e. interaction parameters + description of the molecule structure, and thermodynamic conditions. Molecular dynamics simulation is, in our opinion, an efficient tool to provide new insight on that difficult problem whatever the thermodynamic states. In particular, this simulation technique can be used to provide exact thermophysical properties for a given molecular model and so can be used:

-to test the quality of a molecular model to represent a given real molecule

-to generate a thermophysical properties database for a given molecular model which can serve as a basis to test/construct theory based on the molecular model (cf. SAFT Equation of State for thermodynamic properties)

During the seminar we will present some results related to that two topics using simple fluid models (such as the Lennard-Jones Chain) with a particular emphasis on a possible application to petroleum fluids