The Ninth Industrial Fluid Properties Simulation Challenge.
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ABSTRACT:
SUBMITTER: Moore JD
PROVIDER: S-EPMC6459023 | biostudies-literature | 2018
REPOSITORIES: biostudies-literature
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The Ninth Industrial Fluid Properties Simulation Challenge.
Moore Jonathan D JD Mountain Raymond D RD Ross Richard B RB Shen Vincent K VK Siderius Daniel W DW Smith Kenneth D KD
Fluid phase equilibria 20180101 25 November
The Ninth Industrial Fluid Properties Simulation Challenge aimed to test the ability of molecular modeling approaches to predict water/oil interfacial tension (IFT) at conditions of high temperature and pressure. In particular, the challenge featured water/oil IFT where the oil was n-dodecane, toluene, or a 50:50 n-dodecane/toluene blend at 1.825 MPa and temperatures in the range of 383 K to 443 K. Seven entries were received including approaches such as molecular dynamics (MD) and Monte Carlo ( ...[more]
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