| Year |
Citation |
Score |
| 2023 |
Valiya Parambathu A, Chapman WG, Hirasaki GJ, Asthagiri D, Singer PM. Effect of Nanoconfinement on NMR Relaxation of Heptane in Kerogen from Molecular Simulations and Measurements. The Journal of Physical Chemistry Letters. 14: 1059-1065. PMID 36693239 DOI: 10.1021/acs.jpclett.2c03699 |
0.549 |
|
| 2022 |
Pinheiro Dos Santos TJ, Parambathu AV, Fraenza CC, Walsh C, Greenbaum SG, Chapman WG, Asthagiri D, Singer PM. Thermal and concentration effects on H NMR relaxation of Gd-aqua using MD simulations and measurements. Physical Chemistry Chemical Physics : Pccp. PMID 36373651 DOI: 10.1039/d2cp04390d |
0.781 |
|
| 2022 |
Adhikari RS, Parambathu AV, Chapman WG, Asthagiri DN. Hydration Free Energies of Polypeptides from Popular Implicit Solvent Models versus All-Atom Simulation Results Based on Molecular Quasichemical Theory. The Journal of Physical Chemistry. B. 126: 9607-9616. PMID 36354351 DOI: 10.1021/acs.jpcb.2c05725 |
0.808 |
|
| 2022 |
Xi S, Zhu Y, Lu J, Chapman WG. Block copolymer self-assembly: Melt and solution by molecular density functional theory. The Journal of Chemical Physics. 156: 054902. PMID 35135247 DOI: 10.1063/5.0069883 |
0.33 |
|
| 2021 |
Singer PM, Valiya Parambathu A, Wang X, Asthagiri D, Chapman WG, Hirasaki GJ, Fleury M, Ranguelova K. Correction to "Elucidating the H NMR Relaxation Mechanism in Polydisperse Polymers and Bitumen Using Measurements, MD Simulations, and Models". The Journal of Physical Chemistry. B. PMID 34609864 DOI: 10.1021/acs.jpcb.1c07950 |
0.796 |
|
| 2021 |
Singer PM, Parambathu AV, Pinheiro Dos Santos TJ, Liu Y, Alemany LB, Hirasaki GJ, Chapman WG, Asthagiri D. Predicting H NMR relaxation in Gd-aqua using molecular dynamics simulations. Physical Chemistry Chemical Physics : Pccp. 23: 20974-20984. PMID 34518855 DOI: 10.1039/d1cp03356e |
0.781 |
|
| 2021 |
Zhu Y, Chapman WG. Phase behavior and percolation in mixed patchy colloids. The Journal of Chemical Physics. 154: 134901. PMID 33832229 DOI: 10.1063/5.0039287 |
0.324 |
|
| 2021 |
Khemka Y, Abutaqiya MIL, Sisco CJ, Chapman WG, Vargas FM. Accurate prediction of the viscosity of light crude oils using one-parameter friction theory: Effect of crude oil characterization methods and property correlations Fuel. 283: 118926. DOI: 10.1016/J.Fuel.2020.118926 |
0.381 |
|
| 2020 |
Asthagiri D, Chapman WG, Hirasaki GJ, Singer PM. NMR H-H Dipole Relaxation in Fluids: Relaxation of Individual H-H Pairs versus Relaxation of Molecular Modes. The Journal of Physical Chemistry. B. PMID 33185099 DOI: 10.1021/acs.jpcb.0c08078 |
0.524 |
|
| 2020 |
Singer PM, Valiya Parambathu A, Wang X, Asthagiri D, Chapman WG, Hirasaki GJ, Fleury M. Elucidating the H NMR Relaxation Mechanism in Polydisperse Polymers and Bitumen using Measurements, MD Simulations, and Models. The Journal of Physical Chemistry. B. PMID 32356986 DOI: 10.1021/Acs.Jpcb.0C01941 |
0.808 |
|
| 2020 |
Valiya Parambathu A, Singer PM, Hirasaki GJ, Chapman WG, Asthagiri D. Critical Role of Confinement in the NMR Surface Relaxation and Diffusion of -Heptane in a Polymer Matrix Revealed by MD Simulations. The Journal of Physical Chemistry. B. PMID 32267690 DOI: 10.1021/Acs.Jpcb.0C00711 |
0.589 |
|
| 2020 |
Zhu Y, Bansal A, Xi S, Lu J, Chapman WG. Self-assembly and phase behavior of mixed patchy colloids with any bonding site geometry: theory and simulation. Soft Matter. PMID 32242603 DOI: 10.1039/D0Sm00248H |
0.403 |
|
| 2020 |
Zhang Y, Xi S, Parambathu AV, Chapman WG. Density functional study of one- and two-component bottlebrush molecules in solvents of varying quality Molecular Physics. 118: e1767812. DOI: 10.1080/00268976.2020.1767812 |
0.441 |
|
| 2020 |
Xi S, Liu J, Valiya Parambathu A, Zhang Y, Chapman WG. An Efficient Algorithm for Molecular Density Functional Theory in Cylindrical Geometry: Application to Interfacial Statistical Associating Fluid Theory (iSAFT) Industrial & Engineering Chemistry Research. 59: 6716-6728. DOI: 10.1021/Acs.Iecr.9B06895 |
0.395 |
|
| 2020 |
Sisco CJ, Alajmi MM, Abutaqiya MIL, Vargas FM, Chapman WG. Cubic-Plus-Chain III: Modeling Polymer–Solvent Phase Behavior with the Chain-Modified Cubic Equation of State Industrial & Engineering Chemistry Research. 59: 15752-15757. DOI: 10.1021/Acs.Iecr.0C02483.S001 |
0.425 |
|
| 2020 |
Sisco CJ, Alajmi MM, Abutaqiya MIL, Vargas FM, Chapman WG. Cubic-Plus-Chain (CPC). III: Modeling Polymer-Solvent Phase Behavior with the Chain-Modified Cubic Equation of State Industrial & Engineering Chemistry Research. DOI: 10.1021/Acs.Iecr.0C02483 |
0.349 |
|
| 2020 |
Liu C, Frank F, Thiele C, Alpak FO, Berg S, Chapman W, Riviere B. An efficient numerical algorithm for solving viscosity contrast Cahn–Hilliard–Navier–Stokes system in porous media Journal of Computational Physics. 400: 108948. DOI: 10.1016/J.Jcp.2019.108948 |
0.311 |
|
| 2020 |
Alhosani M, Asthagiri D, Puerto M, Chapman WG. Insights into the mechanisms affecting water/oil interfacial tension as a function of salt types and concentrations Fluid Phase Equilibria. 522: 112771. DOI: 10.1016/J.Fluid.2020.112771 |
0.321 |
|
| 2019 |
Zhang Y, Chapman WG. Modeling LCST Behavior of Associating Dendrimers Using Density Functional Theory. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 31335155 DOI: 10.1021/Acs.Langmuir.9B00514 |
0.404 |
|
| 2019 |
Haghmoradi A, Chapman WG. Bond cooperativity and ring formation in hydrogen fluoride thermodynamic properties: A two-density formalism framework. The Journal of Chemical Physics. 150: 174503. PMID 31067866 DOI: 10.1063/1.5079874 |
0.413 |
|
| 2019 |
Liu J, Xi S, Chapman WG. Competitive Sorption of CO with Gas Mixtures in Nanoporous Shale for Enhanced Gas Recovery from Density Functional Theory. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 31030516 DOI: 10.1021/Acs.Langmuir.9B00410 |
0.425 |
|
| 2019 |
Xi S, Wang L, Liu J, Chapman WG. Thermodynamics, Microstructures, and Solubilization of Block Copolymer Micelles by Density Functional Theory. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 30855146 DOI: 10.1021/Acs.Langmuir.8B04336 |
0.45 |
|
| 2019 |
Liu J, Heier M, Chapman WG, Langenbach K. Adsorption in Purely Dispersive Systems from Molecular Simulation, Density Gradient Theory, and Density Functional Theory Journal of Chemical & Engineering Data. 65: 1222-1233. DOI: 10.1021/Acs.Jced.9B00585 |
0.752 |
|
| 2019 |
Sisco CJ, Abutaqiya MIL, Vargas FM, Chapman WG. Cubic-Plus-Chain (CPC). II: Function Behavior of the Chain-Modified Cubic Equation of State Industrial & Engineering Chemistry Research. DOI: 10.1021/Acs.Iecr.9B00436 |
0.331 |
|
| 2019 |
Sisco CJ, Abutaqiya MIL, Vargas FM, Chapman WG. Cubic-Plus-Chain (CPC). I: A Statistical Associating Fluid Theory-Based Chain Modification to the Cubic Equation of State for Large Nonpolar Molecules Industrial & Engineering Chemistry Research. 58: 7341-7351. DOI: 10.1021/Acs.Iecr.9B00435 |
0.381 |
|
| 2019 |
Alasiri HS, Sultan AS, Chapman WG. Effect of Surfactant Headgroup, Salts, and Temperature on Interfacial Properties: Dissipative Particle Dynamics and Experiment for the Water/Octane/Surfactant System Energy & Fuels. 33: 6678-6688. DOI: 10.1021/Acs.Energyfuels.9B01740 |
0.327 |
|
| 2019 |
Valiya Parambathu A, Wang L, Asthagiri D, Chapman WG. Apolar Behavior of Hydrated Calcite (101̅4) Surface Assists in Naphthenic Acid Adsorption Energy & Fuels. 33: 6119-6125. DOI: 10.1021/Acs.Energyfuels.9B00877 |
0.302 |
|
| 2019 |
Liu J, Chapman WG. Thermodynamic Modeling of the Equilibrium Partitioning of Hydrocarbons in Nanoporous Kerogen Particles Energy & Fuels. 33: 891-904. DOI: 10.1021/Acs.Energyfuels.8B03771 |
0.317 |
|
| 2018 |
Bansal A, Asthagiri D, Chapman WG. A cluster size distribution theory to study the thermodynamics and phase behavior of multi-bonding single site solutes in patchy colloidal mixtures. Soft Matter. PMID 30182119 DOI: 10.1039/C8Sm01487F |
0.375 |
|
| 2018 |
Zhang Y, Valiya Parambathu A, Chapman WG. Density functional study of dendrimer molecules in solvents of varying quality. The Journal of Chemical Physics. 149: 064904. PMID 30111128 DOI: 10.1063/1.5035423 |
0.448 |
|
| 2018 |
Singer PM, Asthagiri D, Chapman WG, Hirasaki GJ. NMR spin-rotation relaxation and diffusion of methane. The Journal of Chemical Physics. 148: 204504. PMID 29865803 DOI: 10.1063/1.5027097 |
0.57 |
|
| 2018 |
Singer PM, Asthagiri D, Chen Z, Valiya Parambathu A, Hirasaki GJ, Chapman WG. Role of internal motions and molecular geometry on the NMR relaxation of hydrocarbons. The Journal of Chemical Physics. 148: 164507. PMID 29716197 DOI: 10.1063/1.5023240 |
0.794 |
|
| 2018 |
Heier M, Stephan S, Liu J, Chapman WG, Hasse H, Langenbach K. Equation of state for the Lennard-Jones truncated and shifted fluid with a cut-off radius of 2.5 σ based on perturbation theory and its applications to interfacial thermodynamics Molecular Physics. 116: 2083-2094. DOI: 10.1080/00268976.2018.1447153 |
0.397 |
|
| 2018 |
Stephan S, Liu J, Langenbach K, Chapman WG, Hasse H. Vapor−Liquid Interface of the Lennard-Jones Truncated and Shifted Fluid: Comparison of Molecular Simulation, Density Gradient Theory, and Density Functional Theory The Journal of Physical Chemistry C. 122: 24705-24715. DOI: 10.1021/Acs.Jpcc.8B06332 |
0.757 |
|
| 2018 |
Mu X, Frank F, Riviere B, Alpak FO, Chapman WG. Mass-Conserved Density Gradient Theory Model for Nucleation Process Industrial & Engineering Chemistry Research. 57: 16476-16485. DOI: 10.1021/Acs.Iecr.8B03389 |
0.392 |
|
| 2018 |
Mu X, Xi S, Alpak FO, Chapman WG. Modified Density Gradient Theory for Surfactant Molecules Applied to Oil/Water Interfaces Industrial & Engineering Chemistry Research. 57: 7643-7654. DOI: 10.1021/Acs.Iecr.8B00164 |
0.472 |
|
| 2018 |
Zhang Y, Chapman WG. Modeling Thermodynamic Properties of Isomeric Alkanes with a New Branched Equation of State Industrial & Engineering Chemistry Research. 57: 1679-1688. DOI: 10.1021/Acs.Iecr.7B03951 |
0.47 |
|
| 2018 |
Guan Q, Goharzadeh A, Chai J, Vargas F, Biswal S, Chapman W, Zhang M, Yap Y. An integrated model for asphaltene deposition in wellbores/pipelines above bubble pressures Journal of Petroleum Science and Engineering. 169: 353-373. DOI: 10.1016/J.Petrol.2018.05.042 |
0.304 |
|
| 2018 |
Feng Z, Panuganti SR, Chapman WG. Predicting solubility and swelling ratio of blowing agents in rubbery polymers using PC-SAFT Equation of State Chemical Engineering Science. 183: 306-328. DOI: 10.1016/J.Ces.2018.03.024 |
0.354 |
|
| 2017 |
Bansal A, Chapman WG, Asthagiri D. Erratum: "Quasichemical theory and the description of associating fluids relative to a reference: Multiple bonding of a single site solute" [J. Chem. Phys. 147, 124505 (2017)]. The Journal of Chemical Physics. 147: 199901. PMID 29166103 DOI: 10.1063/1.5009414 |
0.779 |
|
| 2017 |
Dixit PD, Bansal A, Chapman WG, Asthagiri D. Mini-grand canonical ensemble: Chemical potential in the solvation shell. The Journal of Chemical Physics. 147: 164901. PMID 29096517 DOI: 10.1063/1.4993178 |
0.758 |
|
| 2017 |
Bansal A, Chapman WG, Asthagiri D. Quasichemical theory and the description of associating fluids relative to a reference: Multiple bonding of a single site solute. The Journal of Chemical Physics. 147: 124505. PMID 28964010 DOI: 10.1063/1.4997663 |
0.401 |
|
| 2017 |
Liu J, Wang L, Xi S, Asthagiri D, Chapman WG. Adsorption and phase behavior of pure/mixed alkanes in nano slit graphite pores: an iSAFT application. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 28859477 DOI: 10.1021/Acs.Langmuir.7B02055 |
0.805 |
|
| 2017 |
Asthagiri D, Valiya Parambathu A, Ballal D, Chapman WG. Electrostatic and induction effects in the solubility of water in alkanes. The Journal of Chemical Physics. 147: 074506. PMID 28830171 DOI: 10.1063/1.4997916 |
0.769 |
|
| 2017 |
Song J, Zeng Y, Wang L, Duan X, Puerto M, Chapman WG, Biswal SL, Hirasaki GJ. Surface complexation modeling of calcite zeta potential measurements in brines with mixed potential determining ions (Ca(2+), CO3(2-), Mg(2+), SO4(2-)) for characterizing carbonate wettability. Journal of Colloid and Interface Science. 506: 169-179. PMID 28735190 DOI: 10.1016/J.Jcis.2017.06.096 |
0.544 |
|
| 2017 |
Bansal A, Valiya Parambathu A, Asthagiri D, Cox KR, Chapman WG. Thermodynamics of mixtures of patchy and spherical colloids of different sizes: A multi-body association theory with complete reference fluid information. The Journal of Chemical Physics. 146: 164904. PMID 28456194 DOI: 10.1063/1.4981913 |
0.798 |
|
| 2017 |
Wang L, Haghmoradi A, Liu J, Xi S, Hirasaki GJ, Miller CA, Chapman WG. Modeling micelle formation and interfacial properties with iSAFT classical density functional theory. The Journal of Chemical Physics. 146: 124705. PMID 28388160 DOI: 10.1063/1.4978503 |
0.619 |
|
| 2017 |
Singer PM, Asthagiri D, Chapman WG, Hirasaki GJ. Molecular dynamics simulations of NMR relaxation and diffusion of bulk hydrocarbons and water. Journal of Magnetic Resonance (San Diego, Calif. : 1997). 277: 15-24. PMID 28189994 DOI: 10.1016/J.Jmr.2017.02.001 |
0.804 |
|
| 2017 |
Djamali E, Tomson MB, Chapman WG. Thermodynamic Properties and Solubility of Sodium and Potassium Chloride in Ethane-1,2-diol/Water Mixed Solvent Systems to High Temperatures Journal of Chemical & Engineering Data. 62: 1326-1334. DOI: 10.1021/Acs.Jced.6B00842 |
0.375 |
|
| 2017 |
AlHammadi AA, Chapman WG. Modeling the Polystyrene–Asphaltenes–Toluene Mixture Using the Perturbed-Chain Form of Statistical Associating Fluid Theory Equation of State Energy & Fuels. 31: 6019-6024. DOI: 10.1021/Acs.Energyfuels.7B00642 |
0.451 |
|
| 2017 |
Wang L, Asthagiri D, Zeng Y, Chapman WG. Simulation Studies on the Role of Lauryl Betaine in Modulating the Stability of AOS Surfactant-Stabilized Foams Used in Enhanced Oil Recovery Energy & Fuels. 31: 1512-1518. DOI: 10.1021/Acs.Energyfuels.6B03186 |
0.325 |
|
| 2017 |
Venkataraman P, Zygourakis K, Chapman WG, Wellington SL, Shammai M. Molecular Insights into Glass Transition in Condensed Core Asphaltenes Energy & Fuels. 31: 1182-1192. DOI: 10.1021/Acs.Energyfuels.6B02322 |
0.323 |
|
| 2017 |
AlHammadi AA, Chen Y, Yen A, Wang J, Creek JL, Vargas FM, Chapman WG. Effect of the Gas Composition and Gas/Oil Ratio on Asphaltene Deposition Energy & Fuels. 31: 3610-3619. DOI: 10.1021/Acs.Energyfuels.6B02313 |
0.34 |
|
| 2017 |
Alasiri H, Chapman WG. Dissipative particle dynamics (DPD) study of the interfacial tension for alkane/water systems by using COSMO-RS to calculate interaction parameters Journal of Molecular Liquids. 246: 131-139. DOI: 10.1016/J.Molliq.2017.09.056 |
0.358 |
|
| 2017 |
Ozturk M, Panuganti SR, Gong K, Cox KR, Vargas FM, Chapman WG. Modeling natural gas-carbon dioxide system for solid-liquid-vapor phase behavior Journal of Natural Gas Science and Engineering. 45: 738-746. DOI: 10.1016/J.Jngse.2017.06.011 |
0.334 |
|
| 2017 |
Mu X, Frank F, Alpak FO, Chapman WG. Stabilized density gradient theory algorithm for modeling interfacial properties of pure and mixed systems Fluid Phase Equilibria. 435: 118-130. DOI: 10.1016/J.Fluid.2016.11.024 |
0.394 |
|
| 2017 |
Gong K, Panuganti SR, Chapman WG. Study of solubility and swelling ratio in polymer-CO2systems using the PC-SAFT equation of state Journal of Applied Polymer Science. 134. DOI: 10.1002/App.44804 |
0.308 |
|
| 2016 |
Haghmoradi A, Wang L, Chapman WG. A density functional theory for association of fluid molecules with a functionalized surface: fluid-wall single and double bonding. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 29: 044002. PMID 27897149 DOI: 10.1088/1361-648X/29/4/044002 |
0.401 |
|
| 2016 |
Bansal A, Asthagiri D, Cox KR, Chapman WG. Structure and thermodynamics of a mixture of patchy and spherical colloids: A multi-body association theory with complete reference fluid information. The Journal of Chemical Physics. 145: 074904. PMID 27544123 DOI: 10.1063/1.4960985 |
0.792 |
|
| 2016 |
Haghmoradi A, Wang L, Chapman WG. A density functional theory for colloids with two multiple bonding associating sites. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 28: 244009. PMID 27115237 DOI: 10.1088/0953-8984/28/24/244009 |
0.445 |
|
| 2016 |
Asthagiri D, Ballal D, Venkataraman P, Fouad WA, Cox KR, Chapman WG. Response to "Comment on 'Isolating the non-polar contributions to the intermolecular potential for water-alkane interactions"' [J. Chem. Phys. 144, 137101 (2016)]. The Journal of Chemical Physics. 144: 137102. PMID 27059591 DOI: 10.1063/1.4944979 |
0.749 |
|
| 2016 |
Fouad WA, Wang L, Haghmoradi A, Asthagiri D, Chapman WG. Understanding the Thermodynamics of Hydrogen Bonding in Alcohol-Containing Mixtures: Cross Association. The Journal of Physical Chemistry. B. PMID 26979297 DOI: 10.1021/Acs.Jpcb.5B12375 |
0.379 |
|
| 2016 |
Haghmoradi A, Wang L, Chapman WG. A new equation of state for associating Lennard–Jones fluids with two sites: small bond angle Molecular Physics. 114: 2548-2557. DOI: 10.1080/00268976.2016.1197430 |
0.44 |
|
| 2016 |
Saeger AR, Johnson JK, Chapman WG, Henderson D. Cavity correlation and bridge functions at high density and near the critical point: a test of second-order Percus–Yevick theory Molecular Physics. 1-7. DOI: 10.1080/00268976.2016.1177662 |
0.461 |
|
| 2016 |
Ballal D, Asthagiri D, Parambathu AV, Venkataraman P, Fouad WA, Cox KR, Chapman WG. Erratum: “Isolating the non-polar contributions to the intermolecular potential for water-alkane interactions” [J. Chem. Phys. 141, 064905 (2014)] The Journal of Chemical Physics. 145: 119901. DOI: 10.1063/1.4962733 |
0.751 |
|
| 2016 |
Djamali E, Chapman WG, Cox KR. A Systematic Investigation of the Thermodynamic Properties of Aqueous Barium Sulfate up to High Temperatures and High Pressures Journal of Chemical and Engineering Data. 61: 3585-3594. DOI: 10.1021/Acs.Jced.6B00506 |
0.315 |
|
| 2016 |
Corazza ML, Fouad WA, Chapman WG. PC-SAFT predictions of VLE and LLE of systems related to biodiesel production Fluid Phase Equilibria. 416: 130-137. DOI: 10.1016/J.Fluid.2015.09.044 |
0.39 |
|
| 2016 |
Panuganti SR, Wang F, Chapman WG, Vargas FM. A Simple Method for Estimation of Dielectric Constants and Polarizabilities of Nonpolar and Slightly Polar Hydrocarbons International Journal of Thermophysics. 37. DOI: 10.1007/S10765-016-2075-8 |
0.363 |
|
| 2015 |
Fouad WA, Wang L, Haghmoradi A, Gupta SK, Chapman WG. Understanding the Thermodynamics of Hydrogen Bonding in Alcohol-Containing Mixtures: Self Association. The Journal of Physical Chemistry. B. PMID 26477752 DOI: 10.1021/acs.jpcb.5b08285 |
0.319 |
|
| 2015 |
Ballal D, Chapman WG. Competition between Intra- and Intermolecular Association of Chain Molecules with Water-like Solvent. The Journal of Physical Chemistry. B. 119: 6792-802. PMID 25955880 DOI: 10.1021/Acs.Jpcb.5B00766 |
0.456 |
|
| 2015 |
Alhammadi AA, Vargas FM, Chapman WG. Comparison of cubic-plus-association and perturbed-chain statistical associating fluid theory methods for modeling asphaltene phase behavior and pressure-volume-temperature properties Energy and Fuels. 29: 2864-2875. DOI: 10.1021/Ef502129P |
0.394 |
|
| 2015 |
Djamali E, Chapman WG, Cox KR. Prediction of the standard state partial molar volume of aqueous electrolytes to high temperatures and high pressures Journal of Chemical and Engineering Data. 60: 3792-3799. DOI: 10.1021/Acs.Jced.5B00722 |
0.356 |
|
| 2015 |
Fouad WA, Song KY, Chapman WG. Experimental Measurements and Molecular Modeling of the Hydrate Equilibrium as a Function of Water Content for Pressures up to 40 MPa Industrial and Engineering Chemistry Research. 54: 9637-9644. DOI: 10.1021/Acs.Iecr.5B02240 |
0.426 |
|
| 2015 |
Stevenson JM, Fouad WA, Shalloway D, Usher D, Lunine J, Chapman WG, Clancy P. Solvation of nitrogen compounds in Titan's seas, precipitates, and atmosphere Icarus. 256: 1-12. DOI: 10.1016/J.Icarus.2015.04.019 |
0.338 |
|
| 2015 |
Corazza ML, Fouad WA, Chapman WG. Application of molecular modeling to the vapor-liquid equilibrium of alkyl esters (biodiesel) and alcohols systems Fuel. 161: 34-42. DOI: 10.1016/J.Fuel.2015.08.003 |
0.398 |
|
| 2015 |
Fouad WA, Haghmoradi A, Wang L, Bansal A, Al Hammadi A, Asthagiri D, Djamali E, Cox KR, Chapman WG. Extensions of the SAFT model for complex association in the bulk and interface Fluid Phase Equilibria. DOI: 10.1016/J.Fluid.2015.11.011 |
0.792 |
|
| 2015 |
Sun Q, Guo X, Chapman WG, Liu A, Yang L, Zhang J. Vapor-hydrate two-phase and vapor-liquid-hydrate three-phase equilibrium calculation of THF/CH4/N2 hydrates Fluid Phase Equilibria. 401: 70-76. DOI: 10.1016/J.Fluid.2015.05.024 |
0.335 |
|
| 2015 |
Fouad WA, Yarrison M, Song KY, Cox KR, Chapman WG. High pressure measurements and molecular modeling of the water content of acid gas containing mixtures Aiche Journal. 61: 3038-3052. DOI: 10.1002/Aic.14885 |
0.81 |
|
| 2015 |
Wang L, Haghmoradi A, Miller CA, Hirasaki GJ, Chapman WG. Effect of surfactant architecture on micelle formation and interfacial tension from iSAFT molecular density functional theory Engineering Sciences and Fundamentals 2015 - Core Programming Area At the 2015 Aiche Annual Meeting. 2: 1072-1073. |
0.57 |
|
| 2014 |
Ballal D, Venkataraman P, Fouad WA, Cox KR, Chapman WG. Isolating the non-polar contributions to the intermolecular potential for water-alkane interactions. The Journal of Chemical Physics. 141: 064905. PMID 25134597 DOI: 10.1063/1.4892341 |
0.348 |
|
| 2014 |
Marshall BD, Chapman WG. Thermodynamic perturbation theory for self-assembling mixtures of divalent single patch colloids. Soft Matter. 10: 5168-76. PMID 24910981 DOI: 10.1039/C4Sm00586D |
0.423 |
|
| 2014 |
Marshall BD, Haghmoradi A, Chapman WG. Resummed thermodynamic perturbation theory for bond cooperativity in associating fluids with small bond angles: effects of steric hindrance and ring formation. The Journal of Chemical Physics. 140: 164101. PMID 24784247 DOI: 10.1063/1.4871307 |
0.374 |
|
| 2014 |
Fouad WA, Ballal D, Cox KR, Chapman WG. Examining the consistency of water content data in alkanes using the perturbed-chain form of the statistical associating fluid theory equation of state Journal of Chemical and Engineering Data. 59: 1016-1023. DOI: 10.1021/Je400749E |
0.403 |
|
| 2014 |
Tavakkoli M, Panuganti SR, Taghikhani V, Pishvaie MR, Chapman WG. Precipitated asphaltene amount at high-pressure and high-temperature conditions Energy and Fuels. 28: 1596-1610. DOI: 10.1021/Ef401074E |
0.352 |
|
| 2014 |
Tavakkoli M, Panuganti SR, Taghikhani V, Pishvaie MR, Chapman WG. Understanding the polydisperse behavior of asphaltenes during precipitation Fuel. 117: 206-217. DOI: 10.1016/J.Fuel.2013.09.069 |
0.359 |
|
| 2014 |
Aichele CP, Chapman WG, Rhyne LD, Subramani HJ. Characterization of water-in-crude-oil emulsions in a complex shear field Experimental Thermal and Fluid Science. 53: 190-196. DOI: 10.1016/J.Expthermflusci.2013.12.005 |
0.67 |
|
| 2014 |
Chatterjee S, Bhatnagar G, Dugan B, Dickens GR, Chapman WG, Hirasaki GJ. The impact of lithologic heterogeneity and focused fluid flow upon gas hydrate distribution in marine sediments Journal of Geophysical Research B: Solid Earth. 119: 6705-6732. DOI: 10.1002/2014Jb011236 |
0.553 |
|
| 2013 |
Marshall BD, Chapman WG, Telo da Gama MM. Classical density functional theory for associating fluids in orienting external fields. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 88: 060301. PMID 24483368 DOI: 10.1103/Physreve.88.060301 |
0.38 |
|
| 2013 |
Marshall BD, Chapman WG. Molecular theory for the phase equilibria and cluster distribution of associating fluids with small bond angles. The Journal of Chemical Physics. 139: 054902. PMID 23927279 DOI: 10.1063/1.4816665 |
0.312 |
|
| 2013 |
Kalyuzhnyi YV, Marshall BD, Chapman WG, Cummings PT. Second-order resummed thermodynamic perturbation theory for central-force associating potential: multi-patch colloidal models. The Journal of Chemical Physics. 139: 044909. PMID 23902021 DOI: 10.1063/1.4816128 |
0.43 |
|
| 2013 |
Marshall BD, García-Cuéllar AJ, Chapman WG. A Monte Carlo density functional theory for the competition between inter and intramolecular association in inhomogeneous fluids. The Journal of Chemical Physics. 138: 204908. PMID 23742517 DOI: 10.1063/1.4807587 |
0.324 |
|
| 2013 |
Marshall BD, Chapman WG. Three new branched chain equations of state based on Wertheim's perturbation theory. The Journal of Chemical Physics. 138: 174109. PMID 23656116 DOI: 10.1063/1.4803023 |
0.304 |
|
| 2013 |
Marshall BD, Chapman WG. A density functional theory for patchy colloids based on Wertheim's association theory: beyond the single bonding condition. The Journal of Chemical Physics. 138: 044901. PMID 23387619 DOI: 10.1063/1.4776759 |
0.306 |
|
| 2013 |
Marshall BD, Chapman WG. Erratum: “Molecular theory for the phase equilibria and cluster distribution of associating fluids with small bond angles” [J. Chem. Phys. 139, 054902 (2013)] The Journal of Chemical Physics. 139: 079903. DOI: 10.1063/1.4819262 |
0.364 |
|
| 2013 |
Marshall BD, Chapman WG. Thermodynamic perturbation theory for self assembling mixtures of multi-patch colloids and colloids with spherically symmetric attractions Soft Matter. 9: 11346-11356. DOI: 10.1039/C3Sm52451E |
0.373 |
|
| 2013 |
Panuganti SR, Vargas FM, Chapman WG. Property scaling relations for nonpolar hydrocarbons Industrial and Engineering Chemistry Research. 52: 8009-8020. DOI: 10.1021/Ie303012N |
0.395 |
|
| 2013 |
Panuganti SR, Tavakkoli M, Vargas FM, Gonzalez DL, Chapman WG. SAFT model for upstream asphaltene applications Fluid Phase Equilibria. 359: 2-16. DOI: 10.1016/J.Fluid.2013.05.010 |
0.395 |
|
| 2012 |
Marshall BD, Ballal D, Chapman WG. Wertheim's association theory applied to one site patchy colloids: beyond the single bonding condition. The Journal of Chemical Physics. 137: 104909. PMID 22979892 DOI: 10.1063/1.4751480 |
0.311 |
|
| 2012 |
Marshall BD, García-Cuéllar AJ, Chapman WG. A perturbation density functional theory for the competition between inter and intramolecular association. The Journal of Chemical Physics. 136: 154103. PMID 22519311 DOI: 10.1063/1.3703015 |
0.346 |
|
| 2012 |
Marshall BD, Emborsky C, Cox K, Chapman WG. Effect of bond rigidity and molecular structure on the self-assembly of amphiphilic molecules using second-order classical density functional theory. The Journal of Physical Chemistry. B. 116: 2730-8. PMID 22313423 DOI: 10.1021/Jp2101368 |
0.403 |
|
| 2012 |
Marshall BD, García-Cuéllar AJ, Chapman WG. A perturbation density functional theory for hydrogen bonding cyclic molecules Molecular Physics. 110: 2927-2939. DOI: 10.1080/00268976.2012.683889 |
0.422 |
|
| 2012 |
Marshall BD, Ballal D, Chapman WG. Publisher's Note: “Wertheim's association theory applied to one site patchy colloids: Beyond the single bonding condition” [J. Chem. Phys. 137, 104909 (2012)] The Journal of Chemical Physics. 137: 129902. DOI: 10.1063/1.4757223 |
0.33 |
|
| 2012 |
Marshall BD, Cox KR, Chapman WG. Supramolecular assembly and surfactant behavior of triblock rod-coil amphiphiles at liquid interfaces using classical density functional theory Soft Matter. 8: 7415-7425. DOI: 10.1039/C2Sm26019K |
0.445 |
|
| 2012 |
Feng Z, Chapman WG. Revisited block copolymer/nanoparticle composites: Extension of interfacial statistical associating fluid theory Macromolecules. 45: 6658-6668. DOI: 10.1021/Ma300197Q |
0.452 |
|
| 2012 |
Marshall BD, Cox KR, Chapman WG. A classical density functional theory study of the neat n-alkane/water interface Journal of Physical Chemistry C. 116: 17641-17649. DOI: 10.1021/Jp304634W |
0.436 |
|
| 2012 |
Kurup AS, Wang J, Subramani HJ, Buckley J, Creek JL, Chapman WG. Revisiting asphaltene deposition tool (ADEPT): Field application Energy and Fuels. 26: 5702-5710. DOI: 10.1021/Ef300714P |
0.303 |
|
| 2012 |
Panuganti SR, Vargas FM, Chapman WG. Modeling reservoir connectivity and tar mat using gravity-induced asphaltene compositional grading Energy and Fuels. 26: 2548-2557. DOI: 10.1021/Ef201280D |
0.365 |
|
| 2012 |
Panuganti SR, Vargas FM, Gonzalez DL, Kurup AS, Chapman WG. PC-SAFT characterization of crude oils and modeling of asphaltene phase behavior Fuel. 93: 658-669. DOI: 10.1016/J.Fuel.2011.09.028 |
0.364 |
|
| 2011 |
Gong K, Chapman WG. Solvent response of mixed polymer brushes. The Journal of Chemical Physics. 135: 214901. PMID 22149811 DOI: 10.1063/1.3657830 |
0.37 |
|
| 2011 |
Marshall BD, Chapman WG. Higher order classical density functional theory for branched chains and rings. The Journal of Physical Chemistry. B. 115: 15036-47. PMID 22044121 DOI: 10.1021/Jp2078677 |
0.415 |
|
| 2011 |
Emborsky CP, Cox KR, Chapman WG. Exploring parameter space effects on structure-property relationships of surfactants at liquid-liquid interfaces. The Journal of Chemical Physics. 135: 084708. PMID 21895214 DOI: 10.1063/1.3628452 |
0.806 |
|
| 2011 |
García-Cuéllar AJ, Chapman WG. Theory and simulation of chain molecules with multiple bonding sites in an associating solvent Molecular Physics. 109: 1911-1924. DOI: 10.1080/00268976.2011.599341 |
0.425 |
|
| 2011 |
García-Cuéllar AJ, Chapman WG. Theory and simulation for associating cyclic molecules Molecular Physics. 109: 1813-1820. DOI: 10.1080/00268976.2011.593566 |
0.467 |
|
| 2011 |
Avlund AS, Kontogeorgis GM, Chapman WG. Intramolecular association within the SAFT framework Molecular Physics. 109: 1759-1769. DOI: 10.1080/00268976.2011.589990 |
0.396 |
|
| 2011 |
Feng Z, Chapman WG. Contact values of highly asymmetric hard sphere mixtures from Fundamental Measure Density Functional Theory Molecular Physics. 109: 1717-1726. DOI: 10.1080/00268976.2011.587460 |
0.439 |
|
| 2011 |
Gu G, Dickens GR, Bhatnagar G, Colwell FS, Hirasaki GJ, Chapman WG. Abundant early Palaeogene marine gas hydrates despite warm deep-ocean temperatures Nature Geoscience. 4: 848-851. DOI: 10.1038/Ngeo1301 |
0.529 |
|
| 2011 |
Chatterjee S, Dickens GR, Bhatnagar G, Chapman WG, Dugan B, Snyder GT, Hirasaki GJ. Pore water sulfate, alkalinity, and carbon isotope profiles in shallow sediment above marine gas hydrate systems: A numerical modeling perspective Journal of Geophysical Research: Solid Earth. 116. DOI: 10.1029/2011Jb008290 |
0.538 |
|
| 2011 |
Bhatnagar G, Chatterjee S, Chapman WG, Dugan B, Dickens GR, Hirasaki GJ. Analytical theory relating the depth of the sulfate-methane transition to gas hydrate distribution and saturation Geochemistry, Geophysics, Geosystems. 12. DOI: 10.1029/2010Gc003397 |
0.554 |
|
| 2011 |
Emborsky CP, Cox KR, Chapman WG. Correlation and prediction of water content in alkanes using a molecular theory Industrial and Engineering Chemistry Research. 50: 7791-7799. DOI: 10.1021/Ie200296E |
0.809 |
|
| 2011 |
Kurup AS, Vargas FM, Wang J, Buckley J, Creek JL, Subramani HJ, Chapman WG. Development and application of an asphaltene deposition tool (ADEPT) for well bores Energy and Fuels. 25: 4506-4516. DOI: 10.1021/Ef200785V |
0.34 |
|
| 2011 |
Emborsky CP, Feng Z, Cox KR, Chapman WG. Recent advances in classical density functional theory for associating and polyatomic molecules Fluid Phase Equilibria. 306: 15-30. DOI: 10.1016/J.Fluid.2011.02.007 |
0.806 |
|
| 2011 |
Feng Z, Bymaster A, Emborsky C, Ballal D, Marshall B, Gong K, Garcia A, Cox KR, Chapman WG. Insights into Associating Fluid Properties and Microstructure from Classical Density Functional Theory Journal of Statistical Physics. 145: 467-480. DOI: 10.1007/S10955-011-0263-2 |
0.818 |
|
| 2010 |
Bymaster A, Chapman WG. An iSAFT density functional theory for associating polyatomic molecules. The Journal of Physical Chemistry. B. 114: 12298-307. PMID 20825211 DOI: 10.1021/Jp102677M |
0.824 |
|
| 2010 |
Vargas FM, Creek JL, Chapman WG. On the development of an asphaltene deposition simulator Energy and Fuels. 24: 2294-2299. DOI: 10.1021/Ef900951N |
0.366 |
|
| 2010 |
Jog PK, Ginzburg VV, Srivastava R, Weinhold JD, Jain S, Chapman WG. Application of mesoscale field-based models to predict stability of particle dispersions in polymer melts Advances in Chemical Engineering. 39: 131-164. DOI: 10.1016/S0065-2377(10)39003-X |
0.806 |
|
| 2010 |
Lee LL, Pellicane G, Chapman WG. A star-function based density functional study of the adsorption of Lennard-Jones fluid near its supercritical states Journal of Supercritical Fluids. 55: 524-536. DOI: 10.1016/J.Supflu.2010.09.022 |
0.362 |
|
| 2010 |
Vargas FM, Chapman WG. Application of the One-Third rule in hydrocarbon and crude oil systems Fluid Phase Equilibria. 290: 103-108. DOI: 10.1016/J.Fluid.2009.12.004 |
0.366 |
|
| 2009 |
Jain S, Ginzburg VV, Jog P, Weinhold J, Srivastava R, Chapman WG. Modeling polymer-induced interactions between two grafted surfaces: comparison between interfacial statistical associating fluid theory and self-consistent field theory. The Journal of Chemical Physics. 131: 044908. PMID 19655920 DOI: 10.1063/1.3177009 |
0.801 |
|
| 2009 |
Gao S, Chapman WG, House W. Application of low field NMR T2 measurements to clathrate hydrates. Journal of Magnetic Resonance (San Diego, Calif. : 1997). 197: 208-12. PMID 19201233 DOI: 10.1016/J.Jmr.2008.12.022 |
0.514 |
|
| 2009 |
Jain S, Chapman WG. Effect of confinement on the ordering of symmetric diblock copolymers: Application of interfacial statistical associating fluid theory Molecular Physics. 107: 1-17. DOI: 10.1080/00268970802676040 |
0.615 |
|
| 2009 |
Dominik A, Chapman WG, Swindoll RD, Eversdyk D, Jog PK, Srivastava R. Compositional polydispersity in linear low density polyethylene Industrial and Engineering Chemistry Research. 48: 4127-4135. DOI: 10.1021/Ie800982Z |
0.8 |
|
| 2009 |
Aichele CP, Chapman WG, Rhyne LD, Subramani HJ, House WV. Analysis of formation of water-in-oil emulsions Energy and Fuels. 23: 3674-3680. DOI: 10.1021/Ef900192V |
0.676 |
|
| 2009 |
Aichele CP, Chapman WG, Rhyne LD, Subramani HJ, Montesi A, Creek JL, House W. Nuclear magnetic resonance analysis of methane hydrate formation in water-in-oil emulsions Energy and Fuels. 23: 835-841. DOI: 10.1021/Ef800815B |
0.67 |
|
| 2009 |
Vargas FM, Gonzalez DL, Hirasaki GJ, Chapman WG. Modeling asphaltene phase behavior in crude oil systems using the perturbed chain form of the statistical associating fluid theory (PC-SAFT) equation of state Energy and Fuels. 23: 1140-1146. DOI: 10.1021/Ef8006678 |
0.617 |
|
| 2009 |
Vargas FM, Gonzalez DL, Creek JL, Wang J, Buckley J, Hirasaki GJ, Chapman WG. Development of a general method for modeling asphaltene stability Energy and Fuels. 23: 1147-1154. DOI: 10.1021/Ef800666J |
0.632 |
|
| 2008 |
Bymaster A, Jain S, Chapman WG. Microstructure and depletion forces in polymer-colloid mixtures from an interfacial statistical associating fluid theory. The Journal of Chemical Physics. 128: 164910. PMID 18447503 DOI: 10.1063/1.2909975 |
0.802 |
|
| 2008 |
Jain S, Jog P, Weinhold J, Srivastava R, Chapman WG. Modified interfacial statistical associating fluid theory: application to tethered polymer chains. The Journal of Chemical Physics. 128: 154910. PMID 18433280 DOI: 10.1063/1.2902976 |
0.814 |
|
| 2008 |
Bhatnagar G, Chapman WG, Dickens GR, Dugan B, Hirasaki GJ. Sulfate-methane transition as a proxy for average methane hydrate saturation in marine sediments Geophysical Research Letters. 35. DOI: 10.1029/2007Gl032500 |
0.542 |
|
| 2008 |
Bymaster A, Emborsky C, Dominik A, Chapman WG. Renormalization-group corrections to a perturbed-chain statistical associating fluid theory for pure fluids near to and far from the critical region Industrial and Engineering Chemistry Research. 47: 6264-6274. DOI: 10.1021/Ie8001167 |
0.812 |
|
| 2008 |
Gonzalez DL, Vargas FM, Hirasaki GJ, Chapman WG. Modeling study of CO2-induced asphaltene precipitation Energy and Fuels. 22: 757-762. DOI: 10.1021/Ef700369U |
0.591 |
|
| 2008 |
Chapman WG, Hirasaki GJ. Modeling asphaltene precipitation in crude oil systems 2008 Aiche Spring National Meeting, Conference Proceedings. |
0.54 |
|
| 2008 |
Bymaster AS, Jain S, Chapman WG. An iSAFT density functional theory for inhomogeneous associating polyatomic molecules Aiche Annual Meeting, Conference Proceedings. |
0.802 |
|
| 2008 |
Jain S, Bymaster AS, Emborsky C, Cox KR, Chapman WG. Molecular design of self-assembling copolymer and surfactant systems Aiche Annual Meeting, Conference Proceedings. |
0.767 |
|
| 2008 |
Emborsky C, Cox KR, Jain S, Bymaster A, Feng Z, Chapman WG. Molecular modeling of the self-assembly of amphiphilic molecules using Interfacial Statistical Associating Fluid Theory (iSAFT) density functional theory Aiche Annual Meeting, Conference Proceedings. |
0.814 |
|
| 2007 |
Jain S, Dominik A, Chapman WG. Modified interfacial statistical associating fluid theory: a perturbation density functional theory for inhomogeneous complex fluids. The Journal of Chemical Physics. 127: 244904. PMID 18163703 DOI: 10.1063/1.2806932 |
0.79 |
|
| 2007 |
Aichele CP, Flaum M, Jiang T, Hirasaki GJ, Chapman WG. Water in oil emulsion droplet size characterization using a pulsed field gradient with diffusion editing (PFG-DE) NMR technique. Journal of Colloid and Interface Science. 315: 607-19. PMID 17716679 DOI: 10.1016/J.Jcis.2007.07.057 |
0.718 |
|
| 2007 |
Bhatnagar G, Chapman WG, Dickens GR, Dugan B, Hirasaki GJ. Generalization of gas hydrate distribution and saturation in marine sediments by scaling of thermodynamic and transport processes American Journal of Science. 307: 861-900. DOI: 10.2475/06.2007.01 |
0.551 |
|
| 2007 |
Bymaster A, Dominik A, Chapman WG. Hydration structure and interfacial properties of water near a hydrophobic solute from a fundamental measure density functional theory Journal of Physical Chemistry C. 111: 15823-15831. DOI: 10.1021/Jp073762Q |
0.816 |
|
| 2007 |
Dominik A, Jain S, Chapman WG. New equation of state for polymer solutions based on the Statistical Associating Fluid Theory (SAFT)-dimer equation for hard-chain molecules Industrial and Engineering Chemistry Research. 46: 5766-5774. DOI: 10.1021/Ie0616186 |
0.804 |
|
| 2007 |
Gonzalez DL, Hirasaki GJ, Creek J, Chapman WG. Modeling of asphaltene precipitation due to changes in composition using the perturbed chain statistical associating fluid theory equation of state Energy and Fuels. 21: 1231-1242. DOI: 10.1021/Ef060453A |
0.617 |
|
| 2007 |
Aichele CP, House W, Hirasaki GJ, Chapman WG. Characterizing water/crude oil emulsions with application to methane hydrate blockages using nuclear magnetic resonance 2007 Aiche Annual Meeting. |
0.71 |
|
| 2007 |
Gonzalez DL, Jamaluddin AKM, Solbakken T, Hirasaki GJ, Chapman WG. Impact of flow assurance in the development of a deepwater prospect Proceedings - Spe Annual Technical Conference and Exhibition. 6: 3883-3892. |
0.533 |
|
| 2006 |
Gao S, House W, Chapman WG. Detecting gas hydrate behavior in crude oil using NMR. The Journal of Physical Chemistry. B. 110: 6549-52. PMID 16570953 DOI: 10.1021/Jp055039A |
0.521 |
|
| 2006 |
Dominik A, Tripathi S, Chapman WG. Bulk and interfacial properties of polymers from interfacial SAFT density functional theory Industrial and Engineering Chemistry Research. 45: 6785-6792. DOI: 10.1021/Ie060329E |
0.81 |
|
| 2006 |
Yarrison M, Cox KR, Chapman WG. Measurement and modeling of the solubility of water in supercritical methane and ethane from 310 to 477 K and pressures from 3.4 to 110 MPa Industrial and Engineering Chemistry Research. 45: 6770-6777. DOI: 10.1021/ie0513752 |
0.805 |
|
| 2006 |
Aichele CP, Chapman WG, Hirasaki GJ. Using NMR to characterize brine/crude oil emulsion formation and stability Aiche Annual Meeting, Conference Proceedings. |
0.705 |
|
| 2006 |
Bhatnagar G, Chapman WG, Dickens GR, Dugan B, Hirasaki GJ. Scaling of thermodynamic and transport processes for predicting methane hydrate saturation in marine sediments worldwide Proceedings - Spe Annual Technical Conference and Exhibition. 7: 4983-4991. |
0.506 |
|
| 2005 |
Gao S, House W, Chapman WG. NMR/MRI study of clathrate hydrate mechanisms. The Journal of Physical Chemistry. B. 109: 19090-3. PMID 16853461 DOI: 10.1021/Jp052071W |
0.508 |
|
| 2005 |
Srivastava P, Chapman WG, Laibinis PE. Odd-even variations in the wettability of n-alkanethiolate monolayers on gold by water and hexadecane: a molecular dynamics simulation study. Langmuir : the Acs Journal of Surfaces and Colloids. 21: 12171-8. PMID 16342989 DOI: 10.1021/La051535E |
0.382 |
|
| 2005 |
Tripathi S, Chapman WG. Microstructure of inhomogeneous polyatomic mixtures from a density functional formalism for atomic mixtures. The Journal of Chemical Physics. 122: 094506. PMID 15836149 DOI: 10.1063/1.1853371 |
0.634 |
|
| 2005 |
Tripathi S, Chapman WG. Microstructure and thermodynamics of inhomogeneous polymer blends and solutions. Physical Review Letters. 94: 087801. PMID 15783934 DOI: 10.1103/Physrevlett.94.087801 |
0.619 |
|
| 2005 |
Dominik A, Jain P, Chapman WG. Modified thermodynamic perturbation theory for fused-sphere dimer fluids Molecular Physics. 103: 1387-1394. DOI: 10.1080/00268970500075297 |
0.757 |
|
| 2005 |
Dominik A, Chapman WG. Thermodynamic model for branched polyolefins using the PC-SAFT equation of state Macromolecules. 38: 10836-10843. DOI: 10.1021/Ma0517953 |
0.731 |
|
| 2005 |
Ghosh A, Blaesing J, Jog PK, Chapman WG. Perturbed dipolar chains: A thermodynamic model for polar copolymers Macromolecules. 38: 1025-1027. DOI: 10.1021/Ma048869F |
0.81 |
|
| 2005 |
Gao S, Chapman WG, House W. NMR and viscosity investigation of clathrate hydrate formation and dissociation Industrial and Engineering Chemistry Research. 44: 7373-7379. DOI: 10.1021/Ie050464B |
0.444 |
|
| 2005 |
Dominik A, Chapman WG, Kleiner M, Sadowski G. Modeling of polar systems with the perturbed-chain SAFT equation of state. Investigation of the performance of two polar terms Industrial and Engineering Chemistry Research. 44: 6928-6938. DOI: 10.1021/Ie050071C |
0.714 |
|
| 2005 |
Gonzalez DL, Ting PD, Hirasaki GJ, Chapman WG. Prediction of asphaltene instability under gas injection with the PC-SAFT equation of state Energy and Fuels. 19: 1230-1234. DOI: 10.1021/Ef049782Y |
0.593 |
|
| 2005 |
Tripathi S, Dominik A, Chapman WG. Interfacial properties and structure of polymer blends and solutions from interfacial-saft (Isaft) density functional theory Aiche Annual Meeting, Conference Proceedings. 163. |
0.753 |
|
| 2005 |
Yarrison M, Song KY, Chapman WG. Measurement and modelling of the water content of natural gas mixtures: Methane and ethane from 41 to 204°C and pressures from 34 to 1100 bar, with methane + propane at 20.68 bar from -23 to -44°C Gpa Annual Convention Proceedings. |
0.784 |
|
| 2004 |
Ghosh A, Ting PD, Chapman WG. Thermodynamic stability analysis and pressure-temperature flash for polydisperse polymer solutions Industrial and Engineering Chemistry Research. 43: 6222-6230. DOI: 10.1021/Ie049712E |
0.498 |
|
| 2004 |
Yarrison M, Chapman WG. A systematic study of methanol + n-alkane vapor-liquid and liquid-liquid equilibria using the CK-SAFT and PC-SAFT equations of state Fluid Phase Equilibria. 226: 195-205. DOI: 10.1016/J.Fluid.2004.09.024 |
0.796 |
|
| 2004 |
Song KY, Yarrison M, Chapman W. Experimental low temperature water content in gaseous methane, liquid ethane, and liquid propane in equilibrium with hydrate at cryogenic conditions Fluid Phase Equilibria. 224: 271-277. DOI: 10.1016/J.Fluid.2004.06.058 |
0.779 |
|
| 2004 |
Chapman WG, Sauer SG, Ting D, Ghosh A. Phase behavior applications of SAFT based equations of state - From associating fluids to polydisperse, polar copolymers Fluid Phase Equilibria. 217: 137-143. DOI: 10.1016/J.Fluid.2003.05.001 |
0.822 |
|
| 2003 |
Ting PD, Hirasaki GJ, Chapman WG. Modeling of asphaltene phase behavior with the SAFT equation of state Petroleum Science and Technology. 21: 647-661. DOI: 10.1081/Lft-120018544 |
0.553 |
|
| 2003 |
Tripath S, Chapman WG. An algorithm for calculating the chemical potential in associating and reacting fluids Molecular Physics. 101: 1199-1209. DOI: 10.1080/0026897031000114800 |
0.304 |
|
| 2003 |
TRIPATHI S, CHAPMAN WG. An algorithm for calculating the chemical potential in associating and reacting fluids Molecular Physics. 101: 1199-1209. DOI: 10.1080/0026897031000114800 |
0.48 |
|
| 2003 |
Tripathi S, Chapman WG. Density-functional theory for polar fluids at functionalized surfaces. I. Fluid-wall association Journal of Chemical Physics. 119: 12611-12620. DOI: 10.1063/1.1625638 |
0.601 |
|
| 2003 |
Tripathi S, Chapman WG. A density functional approach to chemical reaction equilibria in confined systems: Application to dimerization Journal of Chemical Physics. 118: 7993-8003. DOI: 10.1063/1.1563602 |
0.586 |
|
| 2003 |
Sauer SG, Chapman WG. A Parametric Study of Dipolar Chain Theory with Applications to Ketone Mixtures Industrial and Engineering Chemistry Research. 42: 5687-5696. DOI: 10.1021/Ie034035U |
0.81 |
|
| 2003 |
Ting P, Joyce PC, Jog PK, Chapman WG, Thies MC. Corrigendum to “Phase equilibrium modeling of mixtures of long-chain and short-chain alkanes using Peng–Robinson and SAFT” [Fluid Phase Equilibria 206 (2003) 267–286] Fluid Phase Equilibria. 209: 309. DOI: 10.1016/S0378-3812(03)00242-5 |
0.782 |
|
| 2003 |
Ghosh A, Chapman WG, French RN. Gas solubility in hydrocarbons - A SAFT-based approach Fluid Phase Equilibria. 209: 229-243. DOI: 10.1016/S0378-3812(03)00147-X |
0.483 |
|
| 2003 |
Ting PD, Joyce PC, Jog PK, Chapman WG, Thies MC. Phase equilibrium modeling of mixtures of long-chain and short-chain alkanes using Peng-Robinson and SAFT Fluid Phase Equilibria. 206: 267-286. DOI: 10.1016/S0378-3812(03)00003-7 |
0.801 |
|
| 2002 |
Jog PK, Chapman WG. An algorithm for calculation of phase equilibria in polydisperse polymer solutions using the SAFT equation of state Macromolecules. 35: 1002-1011. DOI: 10.1021/Ma000974B |
0.788 |
|
| 2002 |
Ghosh A, Chapman WG. SAFT modeling of the effect of various carriers on the operating range of slurry reactors Industrial and Engineering Chemistry Research. 41: 5529-5533. DOI: 10.1021/Ie020320M |
0.491 |
|
| 2002 |
Jog PK, Chapman WG, Gupta SK, Swindoll RD. Modeling of liquid-liquid-phase separation in linear low-density polyethylene-solvent systems using the statistical associating fluid theory equation of state Industrial and Engineering Chemistry Research. 41: 887-891. DOI: 10.1021/Ie000604B |
0.807 |
|
| 2001 |
Segura CJ, Zhang J, Chapman WG. Binary associating fluid mixtures against a hard wall: Density functional theory and simulation Molecular Physics. 99: 1-12. DOI: 10.1080/00268970109483483 |
0.447 |
|
| 2001 |
Duda Y, Lee LL, Kalyuzhnyi Y, Chapman WG, David Ting P. Structures of fused-dimer fluids: A new closure based on the potential distribution theorems Journal of Chemical Physics. 114: 8484-8491. DOI: 10.1063/1.1363667 |
0.388 |
|
| 2001 |
Jog PK, Sauer SG, Blaesing J, Chapman WG. Application of dipolar chain theory to the phase behavior of polar fluids and mixtures Industrial and Engineering Chemistry Research. 40: 4641-4648. DOI: 10.1021/Ie010264+ |
0.809 |
|
| 2001 |
Duda Y, Lee LL, Kalyuzhnyi Y, Chapman WG, David Ting P. Structure and bridge functions of fused-sphere dimeric fluids Chemical Physics Letters. 339: 89-95. DOI: 10.1016/S0009-2614(01)00304-9 |
0.35 |
|
| 2000 |
Shukla KP, Chapman WG. TPT2 and SAFTD equations of state for mixtures of hard chain copolymers Molecular Physics. 98: 2045-2052. DOI: 10.1080/00268970009483407 |
0.449 |
|
| 1999 |
García-Cuéllar AJ, Chapman WG. Solvent effects on model telechelic polymers Molecular Physics. 96: 1063-1074. DOI: 10.1080/00268979909483049 |
0.415 |
|
| 1999 |
Jog PK, Chapman WG. Application of Wertheim's thermodynamic perturbation theory to dipolar hard sphere chains Molecular Physics. 97: 307-319. DOI: 10.1080/00268979909482832 |
0.819 |
|
| 1999 |
Jog PK, Garcia-Cuellar A, Chapman WG. Extensions and applications of the SAFT equation of state to solvents, monomers, and polymers Fluid Phase Equilibria. 158: 321-326. DOI: 10.1016/S0378-3812(99)00069-2 |
0.81 |
|
| 1998 |
Duda Y, Segura CJ, Vakarin E, Holovko MF, Chapman WG. Network forming fluids: Integral equations and Monte Carlo simulations Journal of Chemical Physics. 108: 9168-9176. DOI: 10.1063/1.476363 |
0.421 |
|
| 1998 |
Segura CJ, Vakarin EV, Chapman WG, Holovko MF. A comparison of density functional and integral equation theories vs Monte Carlo simulations for hard sphere associating fluids near a hard wall Journal of Chemical Physics. 108: 4837-4848. DOI: 10.1063/1.475893 |
0.437 |
|
| 1998 |
Shukla KP, Chapman WG. A two-fluid theory for chain fluid mixtures from thermodynamic perturbation theory Molecular Physics. 93: 287-293. |
0.312 |
|
| 1997 |
Segura CJ, Chapman WG, Shukla KP. Associating fluids with four bonding sites against a hard wall: Density functional theory Molecular Physics. 90: 759-771. DOI: 10.1080/002689797172110 |
0.428 |
|
| 1997 |
Shukla KP, Chapman WG. SAFT equation of state for fluid mixtures of hard chain copolymers Molecular Physics. 91: 1075-1081. |
0.341 |
|
| 1996 |
Garcia-Cuellar A, Ghonasgi D, Chapman WG. Competition between intermolecular and intramolecular association in polyatomic molecules: Theory and simulation Fluid Phase Equilibria. 116: 275-281. DOI: 10.1016/0378-3812(95)02896-X |
0.426 |
|
| 1996 |
Lee LL, Lee LJ, Ghonasgi D, Llano-Restrepo M, Chapman WG, Shukla KP, Lomba E. Theory and simulation for electrolyte solutions: Applications to the phase equilibria of mixed solvent systems Fluid Phase Equilibria. 116: 185-192. DOI: 10.1016/0378-3812(95)02886-2 |
0.399 |
|
| 1996 |
Lee LL, Llano-Restrepo M, Chapman WG, Shukla KP. Improved MSA theory for concentrated electrolyte solutions based on monte carlo simulation at high ionic strengths Journal of the Chinese Institute of Chemical Engineers. 27. |
0.302 |
|
| 1995 |
Segura C, Chapman W. Associating fluids with four bonding sites against solid surfaces: Monte Carlo simulations Molecular Physics. 86: 415-442. DOI: 10.1080/00268979509413622 |
0.38 |
|
| 1995 |
Ghonasgi D, Chapman WG. Competition between intermolecular and intramolecular association in flexible hard chain molecules The Journal of Chemical Physics. 102: 2585-2592. DOI: 10.1063/1.468689 |
0.427 |
|
| 1995 |
Llano-Restrepo M, Chapman WG. Bridge function and cavity correlation function from simulation: Implications on closure relations International Journal of Thermophysics. 16: 319-326. DOI: 10.1007/Bf01441897 |
0.34 |
|
| 1995 |
Ghonasgi D, Perez V, Chapman WG. Prediction of the thermodynamic properties of complex polyatomic hydrogen bonding fluids International Journal of Thermophysics. 16: 715-722. DOI: 10.1007/Bf01438856 |
0.443 |
|
| 1994 |
Ghonasgi D, Perez V, Chapman WG. Intramolecular association in flexible hard chain molecules The Journal of Chemical Physics. 101: 6880-6887. DOI: 10.1063/1.468317 |
0.431 |
|
| 1994 |
Kalyuzhnyi YV, Stell G, Llano-Restrepo ML, Chapman WG, Holovko MF. Primitive models of chemical association. I. Theory and simulation for dimerization The Journal of Chemical Physics. 101: 7939-7952. DOI: 10.1063/1.468221 |
0.421 |
|
| 1994 |
Llano-Restrepo M, Chapman WG. Bridge function and cavity correlation function for the soft sphere fluid from simulation: Implications on closure relations The Journal of Chemical Physics. 100: 5139-5148. DOI: 10.1063/1.467241 |
0.351 |
|
| 1994 |
Ghonasgi D, Chapman WG. A new equation of state for hard chain molecules The Journal of Chemical Physics. 100: 6633-6639. DOI: 10.1063/1.467021 |
0.389 |
|
| 1994 |
Llano-Restrepo M, Chapman WG. Monte Carlo simulation of the structural properties of concentrated aqueous alkali halide solutions at 25°C using a simple civilized model The Journal of Chemical Physics. 100: 8321-8339. DOI: 10.1063/1.466777 |
0.379 |
|
| 1994 |
Ghonasgi D, Chapman WG. Prediction of the properties of model polymer solutions and blends Aiche Journal. 40: 878-887. DOI: 10.1002/Aic.690400514 |
0.454 |
|
| 1993 |
Etesse P, Chapman WG, Kobayashi R. Nuclear magnetic resonance measurement of spin-lattice relaxation and self-diffusion in supercritical CO2-n-hexadecane mixtures Molecular Physics. 80: 1145-1164. DOI: 10.1080/00268979300102941 |
0.351 |
|
| 1993 |
Ghonasgi D, Chapman WG. Theory and simulation for associating chain fluids Molecular Physics. 80: 161-176. DOI: 10.1080/00268979300102151 |
0.449 |
|
| 1993 |
Ghonasgi D, Chapman WG. Theory and simulation for associating fluids with four bonding sites Molecular Physics. 79: 291-311. DOI: 10.1080/00268979300101221 |
0.426 |
|
| 1993 |
Ghonasgi D, Llano‐Restrepo M, Chapman WG. Henry’s law constant for diatomic and polyatomic Lennard‐Jones molecules The Journal of Chemical Physics. 98: 5662-5667. DOI: 10.1063/1.464915 |
0.453 |
|
| 1992 |
Llano‐Restrepo M, Chapman WG. Bridge function and cavity correlation function for the Lennard‐Jones fluid from simulation The Journal of Chemical Physics. 97: 2046-2054. DOI: 10.1063/1.463142 |
0.334 |
|
| 1990 |
Chapman WG. Prediction of the thermodynamic properties of associating Lennard‐Jones fluids: Theory and simulation The Journal of Chemical Physics. 93: 4299-4304. DOI: 10.1063/1.458711 |
0.442 |
|
| 1990 |
Chapman WG, Gubbins KE, Jackson G, Radosz M. New reference equation of state for associating liquids Industrial & Engineering Chemistry Research. 29: 1709-1721. DOI: 10.1021/Ie00104A021 |
0.718 |
|
| 1989 |
Chapman W, Gubbins K, Jackson G, Radosz M. SAFT: Equation-of-state solution model for associating fluids Fluid Phase Equilibria. 52: 31-38. DOI: 10.1016/0378-3812(89)80308-5 |
0.729 |
|
| 1988 |
Chapman WG, Jackson G, Gubbins KE. Phase equilibria of associating fluids chain molecules with multiple bonding sites Molecular Physics. 65: 1057-1079. DOI: 10.1080/00268978800101601 |
0.707 |
|
| 1988 |
Jackson G, Chapman WG, Gubbins KE. Phase equilibria of associating fluids spherical molecules with multiple bonding sites Molecular Physics. 65: 1-31. DOI: 10.1080/00268978800100821 |
0.731 |
|
| 1988 |
Adams WR, Zollweg JA, Strett WB, Chapman WG, Clancy P. The excess enthalpy for a mixture of krypton and xenon: experiment and theory Fluid Phase Equilibria. 40: 247-257. DOI: 10.1016/0378-3812(88)87021-3 |
0.362 |
|
| 1988 |
Jackson G, Chapman WG, Gubbins KE. Phase equilibria of associating fluids of spherical and chain molecules International Journal of Thermophysics. 9: 769-779. DOI: 10.1007/Bf00503243 |
0.742 |
|
| 1987 |
Chapman WG, Joslin CG, Gubbins KE, Gray CG. Mixtures of polar and associating molecules Pure and Applied Chemistry. 59: 53-60. DOI: 10.1351/Pac198759010053 |
0.591 |
|
| 1987 |
Joslin CG, Gray CG, Chapman WG, Gubbins KE. Theory and simulation of associating liquid mixtures. II Molecular Physics. 62: 843-860. DOI: 10.1080/00268978700102621 |
0.58 |
|
| 1987 |
Gopal P, Chapman WG, Zollweg JA, Clancy P, Streett WB. Excess enthalpies of {xN2 + (1 −x)CO}(I) at 83.82 K: experiment and theory The Journal of Chemical Thermodynamics. 19: 527-534. DOI: 10.1016/S0021-9614(87)80001-0 |
0.334 |
|
| 1986 |
Chapman W, Gubbins K, Joslin C, Gray C. Theory and simulation of associating liquid mixtures Fluid Phase Equilibria. 29: 337-346. DOI: 10.1016/0378-3812(86)85033-6 |
0.611 |
|
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