Europhys. Lett, 48 (1), pp. 1-7 (1999)
Kinetic theory for dissipative particle dynamics:
The importance of collisions
A. J. Masters 1 and P. B. Warren 2
1Department of Chemistry, University of Manchester
Oxford Road, Manchester, M13 9PL, UK
2Unilever Research Port Sunlight Laboratory
Quarry Road East, Bebington, Wirral, L63 3JW, UK
(received 25 March 1999; accepted 26 July 1999)
PACS. 02.70Ns - Molecular dynamics and particle methods.
PACS. 05.40-a - Fluctuation phenomena, random processes, noise, and Brownian motion.
PACS. 66.20+d - Viscosity of liquids, diffusive momentum transport.
Kinetictheoryofdissipativeparticledynamicsisdevelopedintermsof a Boltzmann pair collision theory. The kinetic transport coefficients are computed from explicit collision integrals and compared favourably with detailed simulations. Previous theory is found to correspond to a weak scattering limit, or Vlasov theory, and previously reported discrepancies with simulations are thereby largely resolved. In the large dissipation limit, we find that qualitatively new scaling behaviour for the transport coefficients is indicated.
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