Get started
Keyword

diffusion coefficient prediction

Description: A computational or theoretical estimate of a material's diffusion coefficient based on measured properties, models, or machine-learning methods.
OpenAlex ID: keywords/diffusion-coefficient-prediction
Prediction of diffusion coefficients of proteins
1990 · Myo T. Tyn, Todd W. Gusek · Biotechnology and Bioengineering · 421
Predicting polymer/solvent diffusion coefficients using free‐volume theory
1992 · John M. Zielinski, J. L. Duda · AIChE Journal · 401
Application of molecular dynamics simulations in molecular property prediction II: Diffusion coefficient
2011 · Junmei Wang, Tingjun Hou · Journal of Computational Chemistry · 215
A Novel Correlation for Protein Diffusion Coefficients Based on Molecular Weight and Radius of Gyration
2003 · Lizhong He, Bernd Niemeyer · Biotechnology Progress · 151
Molecular diffusion in a ternary liquid system with the diffusing component dilute
1969 · L.R. Perkins, C.J. Geankoplis · Chemical Engineering Science · 131
Predictive methods for self-diffusion and mutual diffusion coefficients in polymer–solvent systems
1998 · J.S. Vrentas, C.M. Vrentas · European Polymer Journal · 120
Prediction of diffusion coefficients for gas, liquid and supercritical fluid: application to pure real fluids and infinite dilute binary solutions based on the simulation of Lennard–Jones fluid
2002 · Yu Zhu, Xiaohua Lu, et al. · Fluid Phase Equilibria · 112
1121. New method for prediction of binary gas-phase diffusion coefficients
1966 · Vacuum · 102
Similarity of whole‐sediment molecular diffusion coefficients in freshwater sediments of low and high porosity
1991 · Jean‐Pierre R.A. Sweerts, Carol A. Kelly, et al. · Limnology and Oceanography · 99
PDF
Predicting gas-liquid diffusivities
1972 · Aydin Akgerman, John L. Gainer · Journal of Chemical & Engineering Data · 88
A mutual-diffusion-coefficient model based on local composition
2001 · Jun Li, Honglai Liu, et al. · Fluid Phase Equilibria · 86
A new method for prediction of binary gas-phase diffusion coefficients.
1966 · Vacuum · 68
Prediction of Diffusion Coefficient of Nonelectrolytes in Dilute Solution Based on Generalized Hammond-Stokes Plot
1978 · Koichiro Nakanishi · Industrial & Engineering Chemistry Fundamentals · 59
Liquid diffusion of nonelectrolytes: Part II
1974 · H. Ertl, R. K. Ghai, et al. · AIChE Journal · 54
Diffusion Coefficients and Activation Energies of Diffusion of Organic Molecules in Polystyrene below and above Glass Transition Temperature
2021 · Frank Welle · Polymers · 53
PDF
Prediction of aqueous diffusion coefficients for organic compounds at 25°C
1999 · Janet A. Schramke, Sheila F. Murphy, et al. · Chemosphere · 53
Gaseous Interdiffusion Coefficients
1970 · ISAMU NAGATA, TAKASHI HASEGAWA · JOURNAL OF CHEMICAL ENGINEERING OF JAPAN · 52
PDF
Prediction of cross-term coefficients in binary diffusion: Diffusion in zeolite
1991 · R.T. Yang, Y.D. Chen, et al. · Chemical Engineering Science · 50
Modified Stokes–Einstein Equation for Molecular Self-Diffusion Based on Entropy Scaling
2021 · Julia Zmpitas, Joachim Gross · Industrial & Engineering Chemistry Research · 48
Establishment of a Physical Model for Solute Diffusion in Hydrogel: Understanding the Diffusion of Proteins in Poly(sulfobetaine methacrylate) Hydrogel
2017 · Yuhang Zhou, Junjie Li, et al. · The Journal of Physical Chemistry B · 43
Diffusion coefficients at infinite dilution of carbon dioxide and methane in water, ethanol, cyclohexane, toluene, methanol, and acetone: A PFG-NMR and MD simulation study
2021 · Daniel Bellaire, Oliver Großmann, et al. · The Journal of Chemical Thermodynamics · 39
PDF
Predicting diffusion coefficients in nonpolar solvents
1981 · Napoleon O. Umesi, Ronald P. Danner · Industrial & Engineering Chemistry Process Design and Development · 37
Effect of molecular size and free volume on diffusion in liquids
1991 · C.J. Guo, D. de Kee · Chemical Engineering Science · 35
Prediction of Composition-Dependent Self-Diffusion Coefficients in Binary Liquid Mixtures: The Missing Link for Darken-Based Models
2018 · Ludger Wolff, Seyed Hossein Jamali, et al. · Industrial & Engineering Chemistry Research · 34
On the prediction of diffusivities in multicomponent liquid systems
1982 · J. Bandrowski, A. Kubaczka · Chemical Engineering Science · 31
Works count: 157
Citation count: 3,174
Year
Topic
Type