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

Jun Li; Shuyu Sun; Victor M. Calo

doi:10.2118/148282-ms

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 proceeding › Conference contribution

2 Scopus citations

Abstract

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 language	English (US)
Title of host publication	SPE Reservoir Characterisation and Simulation Conference and Exhibition
Publisher	Society of Petroleum Engineers (SPE)
ISBN (Print)	9781618394224
DOIs	https://doi.org/10.2118/148282-ms
State	Published - Apr 4 2013

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KAUST Repository Item: Exported on 2020-10-01

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10.2118/148282-ms

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@inproceedings{f93e6d57653d4230a4ceafd19f4de775,

title = "Monte Carlo molecular simulation of phase-coexistence for oil production and processing",

abstract = "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.",

author = "Jun Li and Shuyu Sun and Calo, {Victor M.}",

note = "KAUST Repository Item: Exported on 2020-10-01",

year = "2013",

month = apr,

day = "4",

doi = "10.2118/148282-ms",

language = "English (US)",

isbn = "9781618394224",

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publisher = "Society of Petroleum Engineers (SPE)",

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T1 - Monte Carlo molecular simulation of phase-coexistence for oil production and processing

AU - Li, Jun

AU - Sun, Shuyu

AU - Calo, Victor M.

N1 - KAUST Repository Item: Exported on 2020-10-01

PY - 2013/4/4

Y1 - 2013/4/4

N2 - 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.

AB - 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.

UR - http://hdl.handle.net/10754/564331

UR - http://www.onepetro.org/doi/10.2118/148282-MS

U2 - 10.2118/148282-ms

DO - 10.2118/148282-ms

M3 - Conference contribution

SN - 9781618394224

BT - SPE Reservoir Characterisation and Simulation Conference and Exhibition

PB - Society of Petroleum Engineers (SPE)

ER -

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

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