This document provides an overview of molecular simulation techniques that are useful for applications in the oil and gas industry. It discusses the statistical mechanical foundations of molecular simulation methods and describes techniques such as Monte Carlo simulation. Specific applications discussed include determining phase equilibria, modeling adsorption in microporous materials, and optimizing intermolecular potentials for hydrocarbon systems. The document serves as an introduction to how molecular simulation can provide thermodynamic and compositional data needed for operations in the oil and gas industry.

Ungerer, Philippe - Tavitian, Bernard - Boutin, Anne-Applications of Molecular Simulation in The Oil and Gas Industry - Monte Carlo Methods-Editions Technip (2005) PDF

Ungerer, Philippe - Tavitian, Bernard - Boutin, Anne-Applications of Molecular Simulation in The Oil and Gas Industry - Monte Carlo Methods-Editions Technip (2005) PDF PDF

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