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The effect of feed spacer geometry on membrane performance and concentration polarisation based on 3D CFD simulations

Journal of membrane science, 2017-04, Vol.527, p.78-91

2017

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Carbon capture and storage (CCS): the way forward

Energy & environmental science, 2018-01, Vol.11 (5), p.162-1176

2018

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Accurate statistical associating fluid theory for chain molecules formed from Mie segments

The Journal of chemical physics, 2013-10, Vol.139 (15), p.154504-154504

2013

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Computer-aided design of optimal environmentally benign solvent-based adhesive products

Computers & chemical engineering, 2019-11, Vol.130, p.106518, Article 106518

2019

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An overview of CO2 capture technologies

Energy & environmental science, 2010-01, Vol.3 (11), p.1645-1669

2010

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How many more polymorphs of ROY remain undiscovered

Chemical science (Cambridge), 2022-02, Vol.13 (5), p.1288-1297

2022

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Prediction of the crystal structures of axitinib, a polymorphic pharmaceutical molecule

Chemical engineering science, 2015-01, Vol.121, p.60-76

2015

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Optimal control strategies for hydrogen production when coupling solid oxide electrolysers with intermittent renewable energies

Journal of power sources, 2014-12, Vol.268, p.212-224

2014

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Prediction of Thermodynamic Properties and Phase Behavior of Fluids and Mixtures with the SAFT‑γ Mie Group-Contribution Equation of State

Journal of chemical and engineering data, 2014-10, Vol.59 (10), p.3272-3288

2014

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Designing optimal mixtures using generalized disjunctive programming: Hull relaxations

Chemical engineering science, 2017-02, Vol.159, p.106-130

2017

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A QM-CAMD approach to solvent design for optimal reaction rates

Chemical engineering science, 2017-02, Vol.159, p.69-83

2017

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Correlations for Concentration Polarization and Pressure Drop in Spacer-Filled RO Membrane Modules Based on CFD Simulations

Membranes (Basel), 2021-05, Vol.11 (5), p.338

2021

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A group contribution method for associating chain molecules based on the statistical associating fluid theory (SAFT-gamma)

The Journal of chemical physics, 2007-12, Vol.127 (23), p.234903-234903

2007

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Group contribution methodology based on the statistical associating fluid theory for heteronuclear molecules formed from Mie segments

The Journal of chemical physics, 2014-02, Vol.140 (5), p.054107-054107

2014

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Hybrid QSPR models for the prediction of the free energy of solvation of organic solute/solvent pairs

Physical chemistry chemical physics : PCCP, 2019-06, Vol.21 (25), p.1376-1372

2019

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Outer approximation algorithm with physical domain reduction for computer-aided molecular and separation process design

AIChE journal, 2016-09, Vol.62 (9), p.3484-3504

2016

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Application of the SAFT-γ Mie group contribution equation of state to fluids of relevance to the oil and gas industry

Fluid phase equilibria, 2016-05, Vol.416, p.104-119

2016

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On the optimal design of gas-expanded liquids based on process performance

Chemical engineering science, 2014-08, Vol.115, p.19-30

2014

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Predicting the Solvation of Organic Compounds in Aqueous Environments: From Alkanes and Alcohols to Pharmaceuticals

Industrial & engineering chemistry research, 2017-09, Vol.56 (38), p.10856-10876

2017

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Uncovering the Most Kinetically Influential Reaction Pathway Driving the Generation of HCN from Oxyma/DIC Adduct: A Theoretical Study

Industrial & engineering chemistry research, 2023-01, Vol.62 (2), p.874-880

2023

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A predictive model for spiral wound reverse osmosis membrane modules: The effect of winding geometry and accurate geometric details

Computers & chemical engineering, 2017-01, Vol.96, p.248-265

2017

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SAFT-γ Force Field for the Simulation of Molecular Fluids. 1. A Single-Site Coarse Grained Model of Carbon Dioxide

The journal of physical chemistry. B, 2011-09, Vol.115 (38), p.11154-11169

2011

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Computer-aided molecular design of solvents for accelerated reaction kinetics

Nature chemistry, 2013-11, Vol.5 (11), p.952-957

2013

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Computer Aided Design of Solvent Blends for Hybrid Cooling and Antisolvent Crystallization of Active Pharmaceutical Ingredients

Organic process research & development, 2021-05, Vol.25 (5), p.1123-1142

2021

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Efficient Screening of Coformers for Active Pharmaceutical Ingredient Cocrystallization

Crystal growth & design, 2022-07, Vol.22 (7), p.4513-4527

2022

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The effect of feed spacer geometry on membrane performance and concentration polarisation based on 3D CFD simulations

Carbon capture and storage (CCS): the way forward

Accurate statistical associating fluid theory for chain molecules formed from Mie segments

Computer-aided design of optimal environmentally benign solvent-based adhesive products

An overview of CO2 capture technologies

How many more polymorphs of ROY remain undiscovered

Prediction of the crystal structures of axitinib, a polymorphic pharmaceutical molecule

Optimal control strategies for hydrogen production when coupling solid oxide electrolysers with intermittent renewable energies

Prediction of Thermodynamic Properties and Phase Behavior of Fluids and Mixtures with the SAFT‑γ Mie Group-Contribution Equation of State

Designing optimal mixtures using generalized disjunctive programming: Hull relaxations

A QM-CAMD approach to solvent design for optimal reaction rates

Correlations for Concentration Polarization and Pressure Drop in Spacer-Filled RO Membrane Modules Based on CFD Simulations

A group contribution method for associating chain molecules based on the statistical associating fluid theory (SAFT-gamma)

Group contribution methodology based on the statistical associating fluid theory for heteronuclear molecules formed from Mie segments

Hybrid QSPR models for the prediction of the free energy of solvation of organic solute/solvent pairs

Outer approximation algorithm with physical domain reduction for computer-aided molecular and separation process design

Application of the SAFT-γ Mie group contribution equation of state to fluids of relevance to the oil and gas industry

On the optimal design of gas-expanded liquids based on process performance

Predicting the Solvation of Organic Compounds in Aqueous Environments: From Alkanes and Alcohols to Pharmaceuticals

Uncovering the Most Kinetically Influential Reaction Pathway Driving the Generation of HCN from Oxyma/DIC Adduct: A Theoretical Study

A predictive model for spiral wound reverse osmosis membrane modules: The effect of winding geometry and accurate geometric details

SAFT-γ Force Field for the Simulation of Molecular Fluids. 1. A Single-Site Coarse Grained Model of Carbon Dioxide

Computer-aided molecular design of solvents for accelerated reaction kinetics

Computer Aided Design of Solvent Blends for Hybrid Cooling and Antisolvent Crystallization of Active Pharmaceutical Ingredients

Efficient Screening of Coformers for Active Pharmaceutical Ingredient Cocrystallization

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