Molecular dynamics investigation on supercritical water oxidation of a coal particle

2021 ◽  
pp. 105291
Author(s):  
Jian Chen ◽  
Xiong Pan ◽  
Hanqing Li ◽  
Hanhui Jin ◽  
Jianren Fan
Keyword(s):  
Molecular Dynamics ◽  
Supercritical Water ◽  
Water Oxidation ◽  
Coal Particle ◽  
Supercritical Water Oxidation

scholarly journals Determining diffusion coefficients of oxygen in supercritical water with molecular dynamics

2019 ◽  
Vol 23 (Suppl. 3) ◽  
pp. 781-787 ◽  
Author(s):  
Xiao Zhao ◽  
Yigang Liu ◽  
Jian Zou ◽  
Qiuxia Wang ◽  
Hao Liu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Supercritical Water ◽  
Water Oxidation ◽  
Diffusion Coefficients ◽  
Arrhenius Equation ◽  
Empirical Equations ◽  
Supercritical Water Oxidation ◽  
Displacement Method ◽  
Calculation Results ◽  
The Mean

The supercritical water oxidation is a significant way for the waste disposal. The diffusion of the oxygen in the water at the infinite dilution is simulated at 300 K and 1 atm, and 650 K, 673 K, 773 K, 873 K, 973 K, and 250 atm with the molecular dynamics software. The mean squared displacement method is used to calculate the diffusion coefficient. At 300 K, 1 atm, our calculation gives 0.20 ? 10?8 m2/s, which is very near to three empirical equations. When the condition is beyond the critical point, these empirical equations lost their accuracy, and only Kawasaki-Oppenheim equation can be compared to our calculation results. At supercritical conditions, we illustrate the diffusion coefficients with the Arrhenius equation and the activation energy is 22.54 kJ/mol.

Kinetics of Supercritical Water Oxidation. SERDP Compliance Technical Thrust Area

1996 ◽  
Author(s):  
Steven F. Rice ◽  
Richard R. Steeper ◽  
Russell G. Hanush ◽  
Jason D. Aiken ◽  
Eric Croiset
Keyword(s):  
Supercritical Water ◽  
Water Oxidation ◽  
Supercritical Water Oxidation ◽  
Kinetics Of

Kinetics of Supercritical Water Oxidation

1995 ◽  
Author(s):  
Steven F. Rice ◽  
Jefferson W. Tester ◽  
Kenneth Brezinsky
Keyword(s):  
Supercritical Water ◽  
Water Oxidation ◽  
Supercritical Water Oxidation ◽  
Kinetics Of

Kinetics of Supercritical Water Oxidation

1995 ◽  
Author(s):  
Steven F. Rice ◽  
Jefferson W. Tester ◽  
Kenneth Brezinsky
Keyword(s):  
Supercritical Water ◽  
Water Oxidation ◽  
Supercritical Water Oxidation ◽  
Kinetics Of

Recent Developments of Supercritical Water Oxidation: A Patents Review

2011 ◽  
Vol 4 (3) ◽  
pp. 219-230 ◽  
Author(s):  
Angel Martin ◽  
Maria Dolores Bermejo ◽  
Maria Jose Cocero
Keyword(s):  
Supercritical Water ◽  
Water Oxidation ◽  
Supercritical Water Oxidation ◽  
Recent Developments

Design of a Small-Scale Supercritical Water Oxidation Reactor. Part II: Numerical Modeling

2021 ◽  
Author(s):  
Anmol L. Purohit ◽  
John A. Misquith ◽  
Brian R. Pinkard ◽  
Stuart J. Moore ◽  
John C. Kramlich ◽  
...  
Keyword(s):  
Numerical Modeling ◽  
Supercritical Water ◽  
Water Oxidation ◽  
Small Scale ◽  
Supercritical Water Oxidation ◽  
Oxidation Reactor
Sign in / Sign up

Export Citation Format

Share Document