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Data-driven predictions of complex organic mixture permeation in polymer membranes

Nature communications, 2023-08, Vol.14 (1), p.4931-4931, Article 4931

2023

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A modified perturbed chain‐statistical associating fluid theory equation of state for water which includes an association dependent hard sphere diameter

AIChE journal, 2021-10, Vol.67 (10), p.n/a

Marshall, Bennett D.

2021

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Dry Glass Reference Perturbation Theory Predictions of the Temperature and Pressure Dependent Separations of Complex Liquid Mixtures Using SBAD-1 Glassy Polymer Membranes

Membranes (Basel), 2022-07, Vol.12 (7), p.705

2022

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A resummed thermodynamic perturbation theory for positive and negative hydrogen bond cooperativity in water

Journal of physics. Condensed matter, 2019-05, Vol.31 (18), p.184001-184001

Marshall, Bennett D

2019

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A second order thermodynamic perturbation theory for hydrogen bond cooperativity in water

The Journal of chemical physics, 2017-05, Vol.146 (17), p.174104-174104

Marshall, Bennett D.

2017

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A PC-SAFT model for hydrocarbons IV: Water-hydrocarbon phase behavior including petroleum pseudo-components

Fluid phase equilibria, 2019-10, Vol.497, p.79-86

Marshall, Bennett D.

2019

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A PC-SAFT model for hydrocarbons III: Phantom dipole representation of dipole induced dipole interactions in unsaturated hydrocarbons

Fluid phase equilibria, 2019-08, Vol.493, p.153-159

Marshall, Bennett D.

2019

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A doubly associated reference perturbation theory for water

Fluid phase equilibria, 2019-11, Vol.500, p.112252, Article 112252

Marshall, Bennett D.

2019

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Mixture Equation of State for Water with an Associating Reference Fluid

Industrial & engineering chemistry research, 2018-03, Vol.57 (11), p.4070-4080

Marshall, Bennett D

2018

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A molecular equation of state for alcohols which includes steric hindrance in hydrogen bonding

The Journal of chemical physics, 2018-07, Vol.149 (4), p.044505-044505

Marshall, Bennett D.

2018

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A Classical Density Functional Theory Study of the Neat n‑Alkane/Water Interface

Journal of physical chemistry. C, 2012-08, Vol.116 (33), p.17641-17649

2012

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A general mixture equation of state for double bonding carboxylic acids with ≥2 association sites

The Journal of chemical physics, 2018-05, Vol.148 (17), p.174103-174103

Marshall, Bennett D.

2018

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Hydrophobic polyamide nanofilms provide rapid transport for crude oil separation

Science (American Association for the Advancement of Science), 2022-09, Vol.377 (6614), p.1555-1561

2022

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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, 2012-03, Vol.116 (9), p.2730-2738

2012

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An efficient polar cubic equation of state for predictive modeling of phase behavior and critical phenomena of mixtures

AIChE journal, 2024-08, Vol.70 (8)

2024

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Prediction of the Distillation Curve and Vapor Pressure of Alcohol–Gasoline Blends Using Pseudocomponents and an Equation of State

Industrial & engineering chemistry research, 2020-04, Vol.59 (17), p.8361-8373

2020

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Theoretically Self-Consistent Nonequilibrium Thermodynamics of Glassy Polymer Theory for the Solubility of Vapors and Liquids in Glassy Polymers

Industrial & engineering chemistry research, 2021-09, Vol.60 (36), p.13377-13387

2021

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A theory for the effect of patch/non-patch attractions on the self-assembly of patchy colloids

Soft matter, 2017-09, Vol.13 (37), p.656-6514

Marshall, Bennett D

2017

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Dual chain perturbation theory: A new equation of state for polyatomic molecules

The Journal of chemical physics, 2016-04, Vol.144 (16), p.164104-164104

Marshall, Bennett D.

2016

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Supramolecular assembly and surfactant behavior of triblock rod-coil amphiphiles at liquid interfaces using classical density functional theory

Soft matter, 2012-01, Vol.8 (28), p.7415-7425

2012

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Thermodynamic perturbation theory for associating fluids confined in a one-dimensional pore

The Journal of chemical physics, 2015-06, Vol.142 (23), p.234906-234906

Marshall, Bennett D

2015

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Erratum: “Thermodynamic perturbation theory for associating fluids confined in a one-dimensional pore” [J. Chem. Phys. 142, 234906 (2015)]

The Journal of chemical physics, 2016-05, Vol.144 (18), p.189901-189901

Marshall, Bennett D.

2016

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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

Journal of chemical and engineering data, 2020-12, Vol.65 (12), p.5743-5752

2020

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Mixture Solubility Parameters from Experimental Data and Perturbed-Chain Statistical Associating Fluid Theory

Journal of chemical and engineering data, 2020-12, Vol.65 (12), p.5801-5808

2020

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A PC-SAFT model for hydrocarbons II: General model development

Fluid phase equilibria, 2018-12, Vol.478, p.34-41

2018

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Data-driven predictions of complex organic mixture permeation in polymer membranes

A modified perturbed chain‐statistical associating fluid theory equation of state for water which includes an association dependent hard sphere diameter

Dry Glass Reference Perturbation Theory Predictions of the Temperature and Pressure Dependent Separations of Complex Liquid Mixtures Using SBAD-1 Glassy Polymer Membranes

A resummed thermodynamic perturbation theory for positive and negative hydrogen bond cooperativity in water

A second order thermodynamic perturbation theory for hydrogen bond cooperativity in water

A PC-SAFT model for hydrocarbons IV: Water-hydrocarbon phase behavior including petroleum pseudo-components

A PC-SAFT model for hydrocarbons III: Phantom dipole representation of dipole induced dipole interactions in unsaturated hydrocarbons

A doubly associated reference perturbation theory for water

Mixture Equation of State for Water with an Associating Reference Fluid

A molecular equation of state for alcohols which includes steric hindrance in hydrogen bonding

A Classical Density Functional Theory Study of the Neat n‑Alkane/Water Interface

A general mixture equation of state for double bonding carboxylic acids with ≥2 association sites

Hydrophobic polyamide nanofilms provide rapid transport for crude oil separation

Effect of Bond Rigidity and Molecular Structure on the Self-Assembly of Amphiphilic Molecules Using Second-Order Classical Density Functional Theory

An efficient polar cubic equation of state for predictive modeling of phase behavior and critical phenomena of mixtures

Prediction of the Distillation Curve and Vapor Pressure of Alcohol–Gasoline Blends Using Pseudocomponents and an Equation of State

Theoretically Self-Consistent Nonequilibrium Thermodynamics of Glassy Polymer Theory for the Solubility of Vapors and Liquids in Glassy Polymers

A theory for the effect of patch/non-patch attractions on the self-assembly of patchy colloids

Dual chain perturbation theory: A new equation of state for polyatomic molecules

Supramolecular assembly and surfactant behavior of triblock rod-coil amphiphiles at liquid interfaces using classical density functional theory

Thermodynamic perturbation theory for associating fluids confined in a one-dimensional pore

Erratum: “Thermodynamic perturbation theory for associating fluids confined in a one-dimensional pore” [J. Chem. Phys. 142, 234906 (2015)]

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

Mixture Solubility Parameters from Experimental Data and Perturbed-Chain Statistical Associating Fluid Theory

A PC-SAFT model for hydrocarbons II: General model development

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