Monte Carlo molecular simulation of phase-coexistence for oil production and processing

Jun Li, Shuyu Sun, Victor M. Calo

Research output: Chapter in Book/Report/Conference proceedingConference contribution

2 Scopus citations


The Gibbs-NVT ensemble Monte Carlo method is used to simulate the liquid-vapor coexistence diagram and the simulation results of methane agree well with the experimental data in a wide range of temperatures. For systems with two components, the Gibbs-NPT ensemble Monte Carlo method is employed in the simulation while the mole fraction of each component in each phase is modeled as a Leonard-Jones fluid. As the results of Monte Carlo simulations usually contain huge statistical error, the blocking method is used to estimate the variance of the simulation results. Additionally, in order to improve the simulation efficiency, the step sizes of different trial moves is adjusted automatically so that their acceptance probabilities can approach to the preset values.
Original languageEnglish (US)
Title of host publicationSPE Reservoir Characterisation and Simulation Conference and Exhibition
PublisherSociety of Petroleum Engineers (SPE)
ISBN (Print)9781618394224
StatePublished - Apr 4 2013


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