| 1 |
An Efficient Algorithm for Molecular Density Functional Theory in Cylindrical Geometry: Application to Interfacial Statistical Associating Fluid Theory (iSAFT)
Xi S, Liu JL, Parambathu AV, Zhang YC, Chapman WG
Industrial & Engineering Chemistry Research, 59(14), 6716, 2020 |
| 2 |
Viscosity Modeling of Light Crude Oils under Gas Injection Using One-Parameter Friction Theory
Khemka Y, Abutaqiya MIL, Chapman WG, Vargas FM
Industrial & Engineering Chemistry Research, 59(50), 21994, 2020 |
| 3 |
Cubic-Plus-Chain III: Modeling Polymer-Solvent Phase Behavior with the Chain-Modified Cubic Equation of State
Sisco CJ, Alajmi MM, Abutaqiya MIL, Vargas FM, Chapman WG
Industrial & Engineering Chemistry Research, 59(35), 15752, 2020 |
| 4 |
Phase-Equilibrium Measurements and Thermodynamic Modeling of CO2 + Geraniol, CO2 + Geraniol plus Acetic Acid, and CO2 + Geraniol plus Ethyl Acetate
Tavares MV, Giacomin WR, Vandenberghe LPD, Chapman WG, Corazza ML
Journal of Chemical and Engineering Data, 65(4), 1721, 2020 |
| 5 |
Adsorption in Purely Dispersive Systems from Molecular Simulation, Density Gradient Theory, and Density Functional Theory
Liu JL, Heier M, Chapman WG, Langenbach K
Journal of Chemical and Engineering Data, 65(3), 1222, 2020 |
| 6 |
Beyond Wertheim's Multi-density Theory: Steric Hindrance and Associated Rings in a Two-Density Formalism for Binary Mixtures of Molecules with Two Associating Sites
Haghmoradi A, Marshall BD, Chapman WG
Journal of Chemical and Engineering Data, 65(12), 5743, 2020 |
| 7 |
Elucidating the H-1 NMR Relaxation Mechanism in Polydisperse Polymers and Bitumen Using Measurements, MD Simulations, and Models
Singer PM, Parambathu AV, Wang XL, Asthagiri D, Chapman WG, Hirasaki GJ, Fleury M
Journal of Physical Chemistry B, 124(20), 4222, 2020 |
| 8 |
Critical Role of Confinement in the NMR Surface Relaxation and Diffusion of n-Heptane in a Polymer Matrix Revealed by MD Simulations
Parambathu AV, Singer PM, Hirasaki GJ, Chapman WG, Asthagiri D
Journal of Physical Chemistry B, 124(18), 3801, 2020 |
| 9 |
NMR H-1-H-1 Dipole Relaxation in Fluids: Relaxation of Individual H-1-H-1 Pairs versus Relaxation of Molecular Modes
Asthagiri D, Chapman WG, Hirasaki GJ, Singer PM
Journal of Physical Chemistry B, 124(47), 10802, 2020 |
| 10 |
Thermodynamic Modeling of the Equilibrium Partitioning of Hydrocarbons in Nanoporous Kerogen Particles
Liu JL, Chapman WG
Energy & Fuels, 33(2), 891, 2019 |
