Carlo Simulations for Complex Fluids

Brownian Dynamics Monte Carlo Simulations for Complex Fluids. 

Aqueous Interfaces Force Fields A Brief Introduction Force Fields A General Discussion Free Energy Changes in Solution Free Energy Simulations Intermolecular Interactions by Perturbation Theory Monte Carlo Simulations for Complex Fluids Monte Carlo Simulations for Polymers OPLS Force Fields Supercritical Water and Aqueous Solutions Molecular Simulation. 

Designing an effective recipe to conduct a Monte Carlo simulation of a simple fluid is, in most situations, fairly straightforward (see Monte Carlo Simulations for Complex Fluids and Monte Carlo Simulations for Liquids). Unfortunately, as the number of internal degrees of freedom of a molecule increases, so does the complexity of the Monte Carlo recipe. This article is intended to provide an overview of several algorithms that have been devised to surmount some of the difficulties associated with the simulation of polymeric fluids. 

Monte Carlo Simulations for Complex Fluids Monte Carlo Simulations for Liquids Polymer Brushes Polymers Melts and Blends. 

Numerous simulations (see Monte Carlo Simulations for Complex Fluids and Monte Carlo Simulations for Liquids) have been performed on fluids very near to the critical point, with the explicit purpose of elucidating critical exponents and other near-critical properties. However, such studies of the near-critical region have, so far, been unable to provide a description of SCFs further from the critical point, where the correlation length ceases to be of macroscopic dimension and the details of the intermolecular interactions may become important. Thus, the present discussion is confined to simulation studies which are directed more generally towards understanding SCFs. 

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