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Acta Materialia, ISSN 1359-6454, 2009, Volume 57, Issue 14, pp. 4102 - 4108
Journal Article
The Journal of Chemical Thermodynamics, ISSN 0021-9614, 02/2016, Volume 93, pp. 424 - 429
[Display omitted] •MD data for self-diffusion coefficient of CO2 in H2O up to T=1023.15K and 1000MPa.•MD data for self-diffusion coefficient of H2O in CO2 up... 
Water | Molecular dynamics | Correlation | Diffusion coefficient | Geological applications | Carbon dioxide | FLUIDS | MOLECULAR-DYNAMICS | CO2 | CHEMISTRY, PHYSICAL | PARTICLE MESH EWALD | SOLUBILITY | THERMODYNAMICS | EQUILIBRIA | SIMULATIONS | CARBON-DIOXIDE | LIQUIDS
Journal Article
Analytical Chemistry, ISSN 0003-2700, 03/2018, Volume 90, Issue 6, pp. 3987 - 3994
Diffusion-ordered NMR spectroscopy (DOSY) is increasingly widely used for the analysis of mixtures by NMR spectroscopy, dispersing the signals of different... 
TRIMESIC ACID | CHEMISTRY, ANALYTICAL | MAGNETIC-RESONANCE-SPECTROSCOPY | SELF-DIFFUSION | BINARY-MIXTURES | MIXTURE ANALYSIS | EXTERNAL CALIBRATION CURVES | FIELD-GRADIENT NMR | PULSE SEQUENCES | ORDERED NMR-SPECTROSCOPY | DOSY-NMR | Nuclear magnetic resonance spectroscopy | Molecular weights | Usage | Diffusion | Analysis
Journal Article
Journal of Computational Physics, ISSN 0021-9991, 02/2018, Volume 355, pp. 95 - 103
The aim of this paper is to create a molecular algorithm for modeling the transport processes in gases that will be more efficient than molecular dynamics... 
Viscosity | Molecular modeling | Dense gas | Enskog gas | Transport coefficients | Transport processes | Stochastic modeling | Rarefied gas | Self-diffusion | MOLECULAR-DYNAMICS | COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS | PHYSICS, MATHEMATICAL | Molecular dynamics | Analysis | Algorithms
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2016, Volume 18, Issue 25, pp. 16870 - 16881
Using first-principles calculations accompanied by the transition state theory and an 8-frequency model, we present a comprehensive investigation of the... 
ZONE FORMATION | ANOMALOUS DIFFUSION | SELF-DIFFUSION | METALS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | IMPURITY DIFFUSION | CHEMISTRY, PHYSICAL | TOTAL-ENERGY CALCULATIONS | SOLUTE-VACANCY BINDING | ELECTRON LOCALIZATION | TITANIUM-ALLOYS | ZR DIFFUSION | Alloying elements | Dilution | Aluminum | Alloys | Alloying | Diffusion | Diffusion coefficient | Molybdenum
Journal Article
Journal of Membrane Science, ISSN 0376-7388, 11/2014, Volume 470, pp. 389 - 398
Journal Article
Journal of Fluid Mechanics, ISSN 0022-1120, 03/2016, Volume 790, pp. 607 - 618
Explicit analytical expressions for the drag and diffusion coefficients of a spherical particle attached to the flat interface between two immiscible fluids... 
particle/fluid flow | interfacial flows | low-Reynolds-number flows | PHYSICS, FLUIDS & PLASMAS | SPHERES | OIL-WATER INTERFACE | TIME SELF-DIFFUSION | FREE-SURFACE | STOKES-FLOW | MECHANICS | MOTION | RESISTANCE | CIRCULAR DISK | VISCOUS-FLUID | PROPULSION | Viscosity | Fluid mechanics | Velocity
Journal Article
Industrial & Engineering Chemistry Research, ISSN 0888-5885, 12/2018, Volume 57, Issue 48, pp. 16508 - 16517
To better understand diffusion phenomena in highly nonideal ternary liquid mixtures, cyclohexane–toluene–methanol is studied by equilibrium molecular dynamics... 
ENGINEERING, CHEMICAL | THERMODYNAMIC PROPERTIES | SELF-DIFFUSION | MAXWELL-STEFAN DIFFUSIVITIES | BINARY-MIXTURES | MUTUAL-DIFFUSION | FICKIAN DIFFUSION | REFRACTIVE-INDEX | MULTICOMPONENT DIFFUSION | MOLECULAR SIMULATION TOOL | WATER
Journal Article
Chemical Engineering Science, ISSN 0009-2509, 08/2015, Volume 132, pp. 250 - 258
In a recent publication (Moggridge, 2012a. Chem. Eng. Sci. 71, 226–238), a simple equation was shown to accurately predict the mutual diffusion coefficients... 
Mutual diffusion | Tracer diffusion | Thermodynamics | Fluid mixture | Local composition | SYSTEM | SELF-DIFFUSION | ACETONE | METHANOL-CARBON-TETRACHLORIDE | ENGINEERING, CHEMICAL | IDEAL | VELOCITY CROSS-CORRELATION | NONIDEAL MIXTURES | CONCENTRATION-DEPENDENCE | NORMAL-HEXANE | WATER | Tracers (Biology) | Analysis
Journal Article
Energy & Fuels, ISSN 0887-0624, 11/2018, Volume 32, Issue 11, pp. 11143 - 11152
Solvent-based recovery processes have gained some advantage over thermal recovery processes under specific reservoir conditions. Solvent–bitumen mass transfer... 
ENGINEERING, CHEMICAL | SELF-DIFFUSION | HEAVY OIL | ENERGY & FUELS | NUCLEAR-MAGNETIC-RESONANCE | TOLUENE | LIGHT-HYDROCARBON | MODEL | MICROFLUIDICS-BASED MEASUREMENT | DIFFUSIVITIES | CONCENTRATION-DEPENDENT DIFFUSION | PREDICTION
Journal Article
中国化学快报:英文版, ISSN 1001-8417, 2017, Volume 28, Issue 2, pp. 362 - 366
In situ NMR measurements of the diffusion coefficients,including an estimate of signal strength,of lithium ion conductor using diffusion-weighting pulse... 
Pulsed-field gradient | Nuclear magnetic resonance | Diffusion coefficient | Electrochemical priors | Lithium ion conductor | FIELD GRADIENT | SELF-DIFFUSION | MRI | IDENTIFICATION | BATTERIES | CHEMISTRY, MULTIDISCIPLINARY | SPECTROSCOPY | SYSTEMS | Lithium | Models | Chemical properties | Thermodynamic activity
Journal Article
Fuel, ISSN 0016-2361, 02/2016, Volume 165, pp. 19 - 27
•Transport diffusion coefficients of CO2 and CH4 in coal are first calculated from self-diffusion coefficients.•Diffusion in micropores is predominant for gas... 
Diffusion activation energy | Transport diffusion coefficient | Coal | Self-diffusion coefficient | ENERGY & FUELS | NEUTRON-SCATTERING | METHANE ADSORPTION | PORE STRUCTURE | NANOPOROUS MATERIALS | DYNAMICS SIMULATIONS | ENGINEERING, CHEMICAL | EQUATION-OF-STATE | CONCENTRATION-DEPENDENCE | FORCE-FIELD | MASS-TRANSFER | CARBON-DIOXIDE
Journal Article
Acta Materialia, ISSN 1359-6454, 06/2017, Volume 132, Issue C, pp. 467 - 478
Journal Article
Journal of Alloys and Compounds, ISSN 0925-8388, 09/2019, Volume 803, pp. 684 - 688
Journal Article