Molecular dynamic study on hydrogen production from unsymmetrical dimethylhydrazine in supercritical water

Influence of Stefan flow on the drag coefficient and heat transfer of a spherical particle in a supercritical water cross flow

(2021) Hui Jin et al.   PHYSICS OF FLUIDS

Investigation of hydrogen diffusion in supercritical water: A molecular dynamics simulation study

(2019) Xiao Zhao et al.   INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER

Supercritical water oxidation of 2-, 3- and 4-nitroaniline: A study on nitrogen transformation mechanism

(2018) Bowen Yang et al.   CHEMOSPHERE

Gasification of unsymmetrical dimethylhydrazine in supercritical water: Reaction pathway and kinetics

(2018) Lei Yi et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Benchmark of ReaxFF force field for subcritical and supercritical water

(2018) Hegoi Manzano et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular dynamic investigation on hydrogen production by furfural gasification in supercritical water

(2016) Hui Jin et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Molecular dynamic investigation on hydrogen production by polycyclic aromatic hydrocarbon gasification in supercritical water

(2016) Hui Jin et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Automated Discovery of Reaction Pathways, Rate Constants, and Transition States Using Reactive Molecular Dynamics Simulations

(2015) Malte Döntgen et al.   Journal of Chemical Theory and Computation

Industrialization prospects for hydrogen production by coal gasification in supercritical water and novel thermodynamic cycle power generation system with no pollution emission

(2015) LieJin Guo et al.   Science China-Technological Sciences

The effects of alkalis on the dechlorination of o-chlorophenol in supercritical water: Molecular dynamics simulation and experiment

(2013) Jing Ma et al.   CHEMICAL ENGINEERING JOURNAL

The effect of supercritical water on coal pyrolysis and hydrogen production: A combined ReaxFF and DFT study

(2013) Jinli Zhang et al.   FUEL

Boiling coal in water: Hydrogen production and power generation system with zero net CO2 emission based on coal and supercritical water gasification

(2013) Liejin Guo et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Effect of supercritical water on the stability and activity of alkaline carbonate catalysts in coal gasification

(2013) Jinli Zhang et al.   Journal of Energy Chemistry

Hydrogen production by coal gasification in supercritical water with a fluidized bed reactor

(2010) Hui Jin et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Thermal Decomposition of Hydrazines from Reactive Dynamics Using the ReaxFF Reactive Force Field

(2009) Luzheng Zhang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Supercritical water gasification

(2008) Andrea Kruse   Biofuels Bioproducts & Biorefining-Biofpr

Current and Foreseeable Applications of Supercritical Water for Energy and the Environment

(2008) Anne Loppinet-Serani et al.   ChemSusChem

Hydrogen production by biomass gasification in supercritical water with a fluidized bed reactor

(2008) Y LU et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

(2008) Kimberly Chenoweth et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Oxidation of organic compounds in a microstructured catalytic reactor

(2007) I ISMAGILOV et al.   CHEMICAL ENGINEERING JOURNAL