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Molecular Simulations of Vapor-Liquid Equilibrium of Isocyanates
Alina Emelianova,
Gennady Y. Gor
Chemical and Materials Engineering
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Article
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peer-review
2
Scopus citations
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Dive into the research topics of 'Molecular Simulations of Vapor-Liquid Equilibrium of Isocyanates'. Together they form a unique fingerprint.
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Keyphrases
Molecular Simulation
100%
Vapor-liquid Equilibrium
100%
Isocyanate
100%
Force Field
45%
Phase Behavior
27%
Vapor Pressure
27%
Phase Equilibria
18%
Molecular Structure
9%
Molecular Dynamics Simulation
9%
Vapor-liquid-solid
9%
Thermodynamic Properties
9%
All-atom
9%
Monte Carlo Dynamics
9%
Pressure Data
9%
Viscosity
9%
Thermodynamic Model
9%
Ethyl
9%
Methyl
9%
Excellent Performance
9%
Equation of State
9%
Binodal
9%
Butyl
9%
Hexamethylene Diisocyanate
9%
Multiple Industries
9%
Methyl Isocyanate
9%
Liquid Phase Behavior
9%
United Atom Force Field
9%
Antoine Equation
9%
Reproducing Property
9%
Engineering
Vapor-Liquid Equilibrium
100%
Computer Simulation
33%
Experimental Investigation
33%
Liquid Phase
33%
Simulation Method
33%
Pressure Data
33%
Fluid Viscosity
33%
Powerful Tool
33%
Thermodynamic Model
33%
Equation of State
33%
Diisocyanate
33%
Phase Modeling
33%
Chemistry
Phase Equilibria
100%
Isocyanate
100%
Phase Behavior
40%
Vapor Pressure
30%
Molecular Structure
10%
Ethyl
10%
Equation of State
10%
Molecular Dynamics
10%
Hexamethylene Diisocyanate
10%
Methyl Isocyanate
10%
Hexyl Isocyanate
10%
Pharmacology, Toxicology and Pharmaceutical Science
Isocyanic Acid Derivative
100%
Isocyanate
37%
Methyl Isocyanate
12%
Hexamethylene Diisocyanate
12%