Related references
Note: Only part of the references are listed.Insights from molecular dynamics on CO2 diffusion coefficient in saline water over a wide range of temperatures, pressures, and salinity: CO2 geological storage implications
Sina Omrani et al.
JOURNAL OF MOLECULAR LIQUIDS (2022)
Numerical simulation on natural convection and temperature distribution of supercritical water in a side-wall heated cavity
Yi Li et al.
JOURNAL OF SUPERCRITICAL FLUIDS (2022)
LAMMPS-a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
Aidan P. Thompson et al.
COMPUTER PHYSICS COMMUNICATIONS (2022)
A perspective on multi-component resistance analogy analysis for process intensification: Taking supercritical water gasification of coal as an example
Hui Jin et al.
CHEMICAL ENGINEERING AND PROCESSING-PROCESS INTENSIFICATION (2022)
Production forecast analysis of BP neural network based on Yimin lignite supercritical water gasification experiment results
Bowei Zhang et al.
ENERGY (2022)
Measurement of diffusion coefficients of hydrogen sulfide in water and brine using in-situ Raman spectroscopy
Yingying Huang et al.
FLUID PHASE EQUILIBRIA (2022)
The influence of Stefan flow on the flow and heat-transfer characteristics of spherical-particle pair in supercritical water
Yingdong Wang et al.
INTERNATIONAL JOURNAL OF MULTIPHASE FLOW (2022)
A zero-dimensional model of porous char gasification in supercritical water: Experiments and mathematical modeling
Chao Fan et al.
CHEMICAL ENGINEERING JOURNAL (2022)
A predictive model for self-, Maxwell-Stefan, and Fick diffusion coefficients of binary supercritical water mixtures
Xiao Zhao et al.
JOURNAL OF MOLECULAR LIQUIDS (2021)
Adsorption and diffusion characteristics of CH4, CO2, and N2 in micropores and mesopores of bituminous coal: Molecular dynamics
Hang Long et al.
FUEL (2021)
Process in supercritical water gasification of coal: A review of fundamentals, mechanisms, catalysts and element transformation
Jingwei Chen et al.
ENERGY CONVERSION AND MANAGEMENT (2021)
Engineering Model for Predicting the Intradiffusion Coefficients of Hydrogen and Oxygen in Vapor, Liquid, and Supercritical Water based on Molecular Dynamics Simulations
Ioannis N. Tsimpanogiannis et al.
JOURNAL OF CHEMICAL AND ENGINEERING DATA (2021)
Correlation for self-diffusion coefficients of H2, CH4, CO, O2 and CO2 in supercritical water from molecular dynamics simulation
Xiao Zhao et al.
APPLIED THERMAL ENGINEERING (2020)
Prediction of methane diffusion coefficient in water using molecular dynamics simulation
Hojatollah Moradi et al.
HELIYON (2020)
Self-diffusion coefficient of bulk and confined water: a critical review of classical molecular simulation studies
Ioannis N. Tsimpanogiannis et al.
MOLECULAR SIMULATION (2019)
OCTP: A Tool for On-the-Fly Calculation of Transport Properties of Fluids with the Order-n Algorithm in LAMMPS
Seyed Hossein Jamali et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2019)
Molecular dynamics study on transport properties of supercritical working fluids: Literature review and case study
Xianhua Nie et al.
APPLIED ENERGY (2019)
DETERMINING DIFFUSION COEFFICIENTS OF OXYGEN IN SUPERCRITICAL WATER WITH MOLECULAR DYNAMICS
Xiao Zhao et al.
THERMAL SCIENCE (2019)
Self-diffusion coefficients of the binary (H2O + CO2) mixture at high temperatures and pressures
Othonas A. Moultos et al.
JOURNAL OF CHEMICAL THERMODYNAMICS (2016)
Prediction of diffusion coefficients of chlorophenols in water by computer simulation
Luis F. G. Martins et al.
FLUID PHASE EQUILIBRIA (2015)
Atomistic modeling of diffusion coefficient in fusion reactor first wall material tungsten
Zenghui Wang et al.
APPLIED THERMAL ENGINEERING (2014)
Temperature dependence of diffusion coefficient of carbon monoxide in water: A molecular dynamics study
Ishwor Poudyal et al.
JOURNAL OF MOLECULAR LIQUIDS (2014)
Atomistic Molecular Dynamics Simulations of CO2 Diffusivity in H2O for a Wide Range of Temperatures and Pressures
Othonas A. Moultos et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2014)
Measuring oxygen, carbon monoxide and hydrogen sulfide diffusion coefficient and solubility in Nafion membranes
Vijay A. Sethuraman et al.
ELECTROCHIMICA ACTA (2009)
PACKMOL: A Package for Building Initial Configurations for Molecular Dynamics Simulations
L. Martinez et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2009)
Effect of sulfur on catalytic gasification of lignin in supercritical water
Mitsumasa Osada et al.
ENERGY & FUELS (2007)
A general purpose model for the condensed phases of water: TIP4P/2005
JLF Abascal et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Effect of partial charge parametrization on the fluid phase behavior of hydrogen sulfide
G Kamath et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Molecular simulation of vapor-liquid phase equilibria of hydrogen sulfide and its mixtures with alkanes
SK Nath
JOURNAL OF PHYSICAL CHEMISTRY B (2003)