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Combining Dissipative Particle Dynamics and Monte Carlo Techniques

✍ Scribed by S.M. Willemsen; T.J.H. Vlugt; H.C.J. Hoefsloot; B. Smit

Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
131 KB
Volume
147
Category
Article
ISSN
0021-9991

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✦ Synopsis

Dissipative particle dynamics (DPD) has been introduced as a method for simulating complex fluids at hydrodynamic time scales. In this work we investigate the possibilities to combine this DPD method with advanced Monte Carlo techniques. We show that this combined approach results in a more efficient sampling scheme to compute thermodynamic properties. We illustrate these advantages by computing a phase diagram of two liquids that de-mix, and the calculation of the chemical potential of a polymer in solution.

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Dissipative Particle Dynamics allows the sinmlation of fluids in the Brownian regime where thermal fluctuations are important. The fluid is modeled in terms of mesoscopic particles that move following the flow field according to the action of dissipative and random forces . It is an ideally suited o