The fourth industrial fluid properties simulation challenge

Fluid Phase Equilibria

Volumn 274, Issue 1-2, 2008, Pages 2-9

  Case, Fiona H ^a   Brennan, John ^b   Chaka, Anne ^c   Dobbs, Kerwin D ^d   Friend, Daniel G ^c   Gordon, Peter A ^e   Moore, Jonathan D ^f   Mountain, Raymond D ^c   Olson, James D ^g   Ross, Richard B ^h   Schiller, Martin ⁱ   Shen, Vincent K ^c   Stahlberg, Eric A ^j  

^a Case Scientific   (United States)

^b U S ARMY RESEARCH LABORATORY   (United States)

^c NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

^d DUPONT COMPANY   (United States)

^e EXXONMOBIL UPSTREAM RESEARCH COMPANY   (United States)

^f DOW CHEMICAL COMPANY   (United States)

^g The Dow Chemical Company   (United States)

^h 3M COMPANY   (United States)

ⁱ DuPont de Nemours GmbH   (Germany)

^j OHIO SUPERCOMPUTER CENTER   (United States)

more..

Author keywords

Force field; Intermolecular potential; Molecular simulation; Simulation challenge

Indexed keywords

BENCHMARKING; ETHYLENE; MODELS; MOLECULAR STRUCTURE; SYSTEMS ENGINEERING;

ETHYLENE OXIDES; FORCE FIELD; FORCE FIELD PARAMETERS; FORCE FIELDS; INDUSTRIAL FLUIDS; INDUSTRIAL SETTINGS; INTERMOLECULAR POTENTIAL; INTERMOLECULAR POTENTIAL MODELS; INTERMOLECULAR POTENTIALS; MOLECULAR SIMULATION; MOLECULAR SIMULATIONS; POTENTIAL MODELS; PROPERTY PREDICTIONS; SCIENTIFIC LITERATURES; SECONDARY OBJECTIVES; SIMULATION CHALLENGE; SMALL MOLECULES;

FORECASTING;

EID: 55549090321     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.fluid.2008.05.009     Document Type: Article

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