Molecular dynamics investigation of benzene in supercritical water

Chinese Journal of Chemical Engineering

Volumn 9, Issue 2, 2001, Pages 196-199

  Zhou, J ^a   Wang, W ^a   Zhong, C ^a  

^a BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY   (China)

Author keywords

Benzene; Diffusion coefficients; Molecular dynamics; Molecular simulation; Supercritical water

Indexed keywords

COMPUTER SIMULATION; DIFFUSION IN LIQUIDS; HYDROGEN BONDS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MOLECULES; SUPERCRITICAL FLUIDS; THERMAL EFFECTS; WATER;

MICROSCOPIC STRUCTURE; SUPERCRITICAL WATER;

BENZENE;

BENZENE; MOLECULAR DIFFUSION; SUPERCRITICAL WATER;

EID: 0035324458     PISSN: 10049541     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (14)

1. Organic chemical reactions in supercritical water
2. Research activities on supercritical fluid science and technology in Japan - A review
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5. Molecular dynamics simulation of a dilute aqueous solution of benzene
6. Supercritical hydration of organic compounds
7. The missing term in effective pair potentials
8. Dipole moment fluctuation formulas in computer simulations of polar systems
9. Computation of transport coefficients of liquid benzene and cyclohexane using regid multicenter pair interactions
10. On the representation of orientation space
11. Molecular diffusivity of polycyclic aromatic-hydrocarbons in aqueous solution
12. Pressure and temperature dependence of self-diffusion in water