Integrating molecular modeling and process safety research

Fluid Phase Equilibria

Volumn 222-223, Issue , 2004, Pages 205-211

  Saraf, S R ^a   Rogers, W J ^a   Ford, D M ^a   Mannan, M S ^a  

^a Texas AandM University   (United States)

Author keywords

Hydroxylamine; Molecular modeling; Process safety; Reactive hazard evaluation

Indexed keywords

ENTHALPY; EXPLOSIVES; PETROCHEMICAL PLANTS; REACTION KINETICS; RISK ASSESSMENT;

ISODESMIC REACTIONS; MOLECULAR MODELING;

PHASE EQUILIBRIA;

HYDROGEN PEROXIDE; HYDROXYLAMINE;

MODELING;

CALCULATION; CALORIMETRY; CHEMICAL ANALYSIS; CHEMICAL INDUSTRY; CONFERENCE PAPER; CORRELATION ANALYSIS; GAS; HAZARD ASSESSMENT; HEATING; MOLECULAR MECHANICS; MOLECULAR MODEL; PETROCHEMICAL INDUSTRY; PREDICTION; PROCESS DEVELOPMENT; QUANTITATIVE ANALYSIS; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTUM CHEMISTRY; QUANTUM MECHANICS; REACTION ANALYSIS; RESEARCH; RISK ASSESSMENT; STANDARD; TEMPERATURE DEPENDENCE; TEMPERATURE MEASUREMENT; THEORETICAL MODEL; THERMAL ANALYSIS; THERMODYNAMICS;

EID: 4344560631     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.fluid.2004.06.048     Document Type: Conference Paper

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