List of works - Walter G. Chapman

A Monte Carlo density functional theory for the competition between inter and intramolecular association in inhomogeneous fluids.

scientific article

A density functional theory for association of fluid molecules with a functionalized surface: fluid-wall single and double bonding

scientific article published on 29 November 2016

A density functional theory for colloids with two multiple bonding associating sites

scientific article published on 26 April 2016

A density functional theory for patchy colloids based on Wertheim's association theory: Beyond the single bonding condition ⬇️

scientific article published on January 28, 2013

A perturbation density functional theory for the competition between inter and intramolecular association

scientific article published on 01 April 2012

Adsorption and phase behavior of pure/mixed alkanes in nano slit graphite pores: an iSAFT application.

scientific article published on September 2017

AniSAFT Density Functional Theory for Associating Polyatomic Molecules

article

Application of low field NMR T2 measurements to clathrate hydrates

scientific article

Bond cooperativity and ring formation in hydrogen fluoride thermodynamic properties: A two-density formalism framework

scientific article published on 01 May 2019

Classical density functional theory for associating fluids in orienting external fields

scientific article published on 02 December 2013

Competition between Intra- and Intermolecular Association of Chain Molecules with Water-like Solvent

scientific article published on 22 May 2015

Competitive Sorption of CO2 with Gas Mixtures in Nanoporous Shale for Enhanced Gas Recovery from Density Functional Theory

scientific article published on 28 May 2019

Correction to “Elucidating the <sup>1</sup>H NMR Relaxation Mechanism in Polydisperse Polymers and Bitumen Using Measurements, MD Simulations, and Models”

scientific article published in 2021

Density functional study of dendrimer molecules in solvents of varying quality

scientific article published on 01 August 2018

Detecting gas hydrate behavior in crude oil using NMR.

scientific article

Dynamic self-stiffening in liquid crystal elastomers

scientific article published on January 2013

Effect of bond rigidity and molecular structure on the self-assembly of amphiphilic molecules using second-order classical density functional theory

scientific article published on 28 February 2012

Electrostatic and induction effects in the solubility of water in alkanes.

scientific article

Elucidating the 1H NMR Relaxation Mechanism in Polydisperse Polymers and Bitumen Using Measurements, MD Simulations, and Models

scientific article published on 01 May 2020

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)].

scientific article published in November 2017

Exploring parameter space effects on structure-property relationships of surfactants at liquid-liquid interfaces

scientific article published on 01 August 2011

Higher order classical density functional theory for branched chains and rings

scientific article published on 22 November 2011

Hydrophobic and hydrophilic interactions in aqueous mixtures of alcohols at a hydrophobic surface

scientific article published on 01 September 2013

Isolating the non-polar contributions to the intermolecular potential for water-alkane interactions.

scientific article published in August 2014

Microstructure and depletion forces in polymer-colloid mixtures from an interfacial statistical associating fluid theory

scientific article

Microstructure and thermodynamics of inhomogeneous polymer blends and solutions

scientific article published in March 2005

Microstructure of inhomogeneous polyatomic mixtures from a density functional formalism for atomic mixtures

scientific article published in March 2005

Mini-grand canonical ensemble: Chemical potential in the solvation shell.

scientific article published in October 2017

Modeling Lower Critical Solution Temperature Behavior of Associating Dendrimers Using Density Functional Theory

scientific article published on 06 August 2019

Modeling lower critical solution temperature behavior of associating polymer brushes with classical density functional theory

article

Modeling micelle formation and interfacial properties with iSAFT classical density functional theory.

scientific article published on March 2017

Modeling polymer-induced interactions between two grafted surfaces: comparison between interfacial statistical associating fluid theory and self-consistent field theory

scientific article published on 01 July 2009

Modified interfacial statistical associating fluid theory: a perturbation density functional theory for inhomogeneous complex fluids

scientific article published in December 2007

Modified interfacial statistical associating fluid theory: application to tethered polymer chains

scientific article

Molecular dynamics simulation of oxygen transport through n-alkanethiolate self-assembled monolayers on gold and copper

scientific article published on 01 January 2009

Molecular dynamics simulation of oxygen transport through omega-alkoxy-n-alkanethiolate self-assembled monolayers on gold and copper

scientific article published on 01 March 2009

Molecular dynamics simulations of NMR relaxation and diffusion of bulk hydrocarbons and water. ⬇️

scientific article

Molecular theory for self assembling mixtures of patchy colloids and colloids with spherically symmetric attractions: the single patch case.

scientific article

NMR 1H-1H Dipole Relaxation in Fluids: Relaxation of Individual 1H-1H Pairs versus Relaxation of Molecular Modes

scientific article published on 13 November 2020

NMR spin-rotation relaxation and diffusion of methane

scientific article published on 01 May 2018

NMR/MRI study of clathrate hydrate mechanisms

scientific article

Odd-even variations in the wettability of n-alkanethiolate monolayers on gold by water and hexadecane: a molecular dynamics simulation study

scientific article

Phase Equilibrium of Cross-Associating Mixtures Using Association Theory-Based Equation of State

scientific article published in 2022

Pore water sulfate, alkalinity, and carbon isotope profiles in shallow sediment above marine gas hydrate systems: A numerical modeling perspective

scientific article published on 15 September 2011

Quasichemical theory and the description of associating fluids relative to a reference: Multiple bonding of a single site solute.

scientific article

Response behavior of diblock copolymer brushes in explicit solvent ⬇️

scientific article published on October 21, 2012

Response to "Comment on 'Isolating the non-polar contributions to the intermolecular potential for water-alkane interactions"' [J. Chem. Phys. 144, 137101 (2016)].

scientific article published in April 2016

Resummed thermodynamic perturbation theory for bond cooperativity in associating fluids with small bond angles: effects of steric hindrance and ring formation

scientific article published in April 2014

Resummed thermodynamic perturbation theory for bond cooperativity in associating fluids.

scientific article published in December 2013

Role of internal motions and molecular geometry on the NMR relaxation of hydrocarbons

scientific article published on 01 April 2018

Second-order resummed thermodynamic perturbation theory for central-force associating potential: multi-patch colloidal models

scientific article published in July 2013

Self-assembly and phase behavior of mixed patchy colloids with any bonding site geometry: theory and simulation

scientific article published on 03 April 2020

Shape-responsive liquid crystal elastomer bilayers.

scientific article

Solvent response of mixed polymer brushes

scientific article published on 01 December 2011

Structure and thermodynamics of a mixture of patchy and spherical colloids: A multi-body association theory with complete reference fluid information ⬇️

scientific article published in August 2016

Surface complexation modeling of calcite zeta potential measurements in brines with mixed potential determining ions (Ca2+, CO32-, Mg2+, SO42-) for characterizing carbonate wettability.

scientific article published on 11 July 2017

The impact of lithologic heterogeneity and focused fluid flow upon gas hydrate distribution in marine sediments

scientific article

Thermodynamic perturbation theory for associating fluids with small bond angles: effects of steric hindrance, ring formation, and double bonding

scientific article published on 22 May 2013

Thermodynamic perturbation theory for self-assembling mixtures of divalent single patch colloids

scientific article published in July 2014

Thermodynamics of mixtures of patchy and spherical colloids of different sizes: A multi-body association theory with complete reference fluid information.

scientific article published on April 2017

Thermodynamics, Microstructures, and Solubilization of Block Copolymer Micelles by Density Functional Theory

scientific article published on 28 March 2019

Three new branched chain equations of state based on Wertheim's perturbation theory

scientific article

Understanding the Thermodynamics of Hydrogen Bonding in Alcohol-Containing Mixtures: Self Association

scientific article

Water in oil emulsion droplet size characterization using a pulsed field gradient with diffusion editing (PFG-DE) NMR technique.

scientific article

Wertheim's association theory applied to one site patchy colloids: beyond the single bonding condition

scientific article published in September 2012

List of works by Walter G. Chapman

A Monte Carlo density functional theory for the competition between inter and intramolecular association in inhomogeneous fluids.

A density functional theory for association of fluid molecules with a functionalized surface: fluid-wall single and double bonding

A density functional theory for colloids with two multiple bonding associating sites

A density functional theory for patchy colloids based on Wertheim's association theory: Beyond the single bonding condition ⬇️

A perturbation density functional theory for the competition between inter and intramolecular association

Adsorption and phase behavior of pure/mixed alkanes in nano slit graphite pores: an iSAFT application.

AniSAFT Density Functional Theory for Associating Polyatomic Molecules

Application of low field NMR T2 measurements to clathrate hydrates

Bond cooperativity and ring formation in hydrogen fluoride thermodynamic properties: A two-density formalism framework

Classical density functional theory for associating fluids in orienting external fields

Competition between Intra- and Intermolecular Association of Chain Molecules with Water-like Solvent

Competitive Sorption of CO2 with Gas Mixtures in Nanoporous Shale for Enhanced Gas Recovery from Density Functional Theory

Correction to “Elucidating the <sup>1</sup>H NMR Relaxation Mechanism in Polydisperse Polymers and Bitumen Using Measurements, MD Simulations, and Models”

Density functional study of dendrimer molecules in solvents of varying quality

Detecting gas hydrate behavior in crude oil using NMR.

Dynamic self-stiffening in liquid crystal elastomers

Effect of bond rigidity and molecular structure on the self-assembly of amphiphilic molecules using second-order classical density functional theory

Electrostatic and induction effects in the solubility of water in alkanes.

Elucidating the 1H NMR Relaxation Mechanism in Polydisperse Polymers and Bitumen Using Measurements, MD Simulations, and Models

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)].

Exploring parameter space effects on structure-property relationships of surfactants at liquid-liquid interfaces

Higher order classical density functional theory for branched chains and rings

Hydrophobic and hydrophilic interactions in aqueous mixtures of alcohols at a hydrophobic surface

Isolating the non-polar contributions to the intermolecular potential for water-alkane interactions.

Microstructure and depletion forces in polymer-colloid mixtures from an interfacial statistical associating fluid theory

Microstructure and thermodynamics of inhomogeneous polymer blends and solutions

Microstructure of inhomogeneous polyatomic mixtures from a density functional formalism for atomic mixtures

Mini-grand canonical ensemble: Chemical potential in the solvation shell.

Modeling Lower Critical Solution Temperature Behavior of Associating Dendrimers Using Density Functional Theory

Modeling lower critical solution temperature behavior of associating polymer brushes with classical density functional theory

Modeling micelle formation and interfacial properties with iSAFT classical density functional theory.

Modeling polymer-induced interactions between two grafted surfaces: comparison between interfacial statistical associating fluid theory and self-consistent field theory

Modified interfacial statistical associating fluid theory: a perturbation density functional theory for inhomogeneous complex fluids

Modified interfacial statistical associating fluid theory: application to tethered polymer chains

Molecular dynamics simulation of oxygen transport through n-alkanethiolate self-assembled monolayers on gold and copper

Molecular dynamics simulation of oxygen transport through omega-alkoxy-n-alkanethiolate self-assembled monolayers on gold and copper

Molecular dynamics simulations of NMR relaxation and diffusion of bulk hydrocarbons and water. ⬇️

Molecular theory for self assembling mixtures of patchy colloids and colloids with spherically symmetric attractions: the single patch case.

NMR 1H-1H Dipole Relaxation in Fluids: Relaxation of Individual 1H-1H Pairs versus Relaxation of Molecular Modes

NMR spin-rotation relaxation and diffusion of methane

NMR/MRI study of clathrate hydrate mechanisms

Odd-even variations in the wettability of n-alkanethiolate monolayers on gold by water and hexadecane: a molecular dynamics simulation study

Phase Equilibrium of Cross-Associating Mixtures Using Association Theory-Based Equation of State

Pore water sulfate, alkalinity, and carbon isotope profiles in shallow sediment above marine gas hydrate systems: A numerical modeling perspective

Quasichemical theory and the description of associating fluids relative to a reference: Multiple bonding of a single site solute.

Response behavior of diblock copolymer brushes in explicit solvent ⬇️

Response to "Comment on 'Isolating the non-polar contributions to the intermolecular potential for water-alkane interactions"' [J. Chem. Phys. 144, 137101 (2016)].

Resummed thermodynamic perturbation theory for bond cooperativity in associating fluids with small bond angles: effects of steric hindrance and ring formation

Resummed thermodynamic perturbation theory for bond cooperativity in associating fluids.

Role of internal motions and molecular geometry on the NMR relaxation of hydrocarbons

Second-order resummed thermodynamic perturbation theory for central-force associating potential: multi-patch colloidal models

Self-assembly and phase behavior of mixed patchy colloids with any bonding site geometry: theory and simulation

Shape-responsive liquid crystal elastomer bilayers.

Solvent response of mixed polymer brushes

Structure and thermodynamics of a mixture of patchy and spherical colloids: A multi-body association theory with complete reference fluid information ⬇️

Surface complexation modeling of calcite zeta potential measurements in brines with mixed potential determining ions (Ca2+, CO32-, Mg2+, SO42-) for characterizing carbonate wettability.

The impact of lithologic heterogeneity and focused fluid flow upon gas hydrate distribution in marine sediments

Thermodynamic perturbation theory for associating fluids with small bond angles: effects of steric hindrance, ring formation, and double bonding

Thermodynamic perturbation theory for self-assembling mixtures of divalent single patch colloids

Thermodynamics of mixtures of patchy and spherical colloids of different sizes: A multi-body association theory with complete reference fluid information.

Thermodynamics, Microstructures, and Solubilization of Block Copolymer Micelles by Density Functional Theory

Three new branched chain equations of state based on Wertheim's perturbation theory

Understanding the Thermodynamics of Hydrogen Bonding in Alcohol-Containing Mixtures: Self Association

Water in oil emulsion droplet size characterization using a pulsed field gradient with diffusion editing (PFG-DE) NMR technique.

Wertheim's association theory applied to one site patchy colloids: beyond the single bonding condition