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Evaluation of Ideal Adsorbed Solution Theory as a Tool for the Design of Metal–Organic Framework Materials

Industrial & engineering chemistry research, 2012-04, Vol.51 (13), p.4911-4921

2012

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Early stages of phase selection in MOF formation observed in molecular Monte Carlo simulations

RSC advances, 2019-01, Vol.9 (25), p.14382-1439

2019

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Unusual Adsorption Behavior on Metal−Organic Frameworks

Langmuir, 2010-09, Vol.26 (18), p.14694-14699

2010

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Simulation Study of the Effect of the Chemical Heterogeneity of Activated Carbon on Water Adsorption

Langmuir, 2002-11, Vol.18 (24), p.9296-9306

2002

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Experimental and Computer Simulation Studies of the Adsorption of Ethane, Carbon Dioxide, and Their Binary Mixtures in MCM-41

Langmuir, 2003-11, Vol.19 (24), p.10132-10138

2003

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Grand-Canonical Monte Carlo Adsorption Studies on SBA‑2 Periodic Mesoporous Silicas

Journal of physical chemistry. C, 2014-11, Vol.118 (44), p.25441-25446

2014

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Generation of Atomistic Models of Periodic Mesoporous Silica by Kinetic Monte Carlo Simulation of the Synthesis of the Material

The journal of physical chemistry. B, 2006-01, Vol.110 (1), p.319-333

2006

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Heats of Adsorption and Adsorption Heterogeneity for Methane, Ethane, and Carbon Dioxide in MCM-41

Langmuir, 2006-01, Vol.22 (3), p.1150-1155

2006

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Influence of Surface Groups on the Diffusion of Gases in MCM-41: A Molecular Dynamics Study

Journal of physical chemistry. C, 2011-06, Vol.115 (21), p.10651-10660

2011

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Molecular Dynamics Simulation of the Early Stages of the Synthesis of Periodic Mesoporous Silica

The journal of physical chemistry. B, 2009-01, Vol.113 (3), p.708-718

2009

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Pore-Network Connectivity and Molecular Sieving of Normal and Isoalkanes in the Mesoporous Silica SBA‑2

Journal of physical chemistry. C, 2014-05, Vol.118 (19), p.10183-10190

2014

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Molecular Simulation of Silica/Surfactant Self-Assembly in the Synthesis of Periodic Mesoporous Silicas

Journal of the American Chemical Society, 2007-12, Vol.129 (50), p.15414-15415

2007

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Adsorption Properties of Templated Mesoporous Carbon (CMK-1) for Nitrogen and Supercritical MethaneExperiment and GCMC Simulation

The journal of physical chemistry. B, 2002-06, Vol.106 (25), p.6523-6528

2002

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Adsorption of Methane, Ethane, and Their Binary Mixtures on MCM-41: Experimental Evaluation of Methods for the Prediction of Adsorption Equilibrium

Langmuir, 2002-04, Vol.18 (7), p.2693-2701

2002

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Corrigendum to “Towards predictive molecular simulations of normal and branched alkane adsorption in carbonaceous engine deposits” [Carbon 49 (2011) 445–456]

Carbon (New York), 2015-01, Vol.81, p.854-856

2015

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Monte Carlo Simulation and Pore-Size Distribution Analysis of the Isosteric Heat of Adsorption of Methane in Activated Carbon

Langmuir, 2005-08, Vol.21 (18), p.8297-8301

2005

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Effect of pore wall model on prediction of diffusion coefficients for graphitic slit pores

Physical chemistry chemical physics : PCCP, 2008-01, Vol.10 (18), p.2519-2527

2008

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Kinetic Monte Carlo Simulation of the Synthesis of Periodic Mesoporous Silicas SBA‑2 and STAC-1: Generation of Realistic Atomistic Models

Journal of physical chemistry. C, 2012-10, Vol.116 (39), p.20966-20974

2012

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Design of Hybrid Organic/Inorganic Adsorbents Based on Periodic Mesoporous Silica

Industrial & engineering chemistry research, 2006-08, Vol.45 (16), p.5586-5597

2006

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Adsorption Equilibrium of Binary Methane/Ethane Mixtures in BPL Activated Carbon: Isotherms and Calorimetric Heats of Adsorption

Langmuir, 2004-08, Vol.20 (16), p.6668-6678

2004

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Towards predictive molecular simulations of normal and branched alkane adsorption in carbonaceous engine deposits

Carbon (New York), 2011-02, Vol.49 (2), p.445-456

2011

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Predicting adsorption of water/organic mixtures using molecular simulation

AIChE journal, 2003-08, Vol.49 (8), p.2059-2070

2003

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A Self-Consistent Method for Characterization of Activated Carbons Using Supercritical Adsorption and Grand Canonical Monte Carlo Simulations

Langmuir, 1997-05, Vol.13 (10), p.2815-2821

1997

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Packing of adsorbed molecules in microporous polymorphs aluminium methylphosphonates α and β

Physical chemistry chemical physics : PCCP, 2005-06, Vol.7 (11), p.2351-2356

2005

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Characterisation of porous solids VIII: proceedings of the 8th international symposium on the characterisation of porous solids.

1, 2009

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Evaluation of Ideal Adsorbed Solution Theory as a Tool for the Design of Metal–Organic Framework Materials

Early stages of phase selection in MOF formation observed in molecular Monte Carlo simulations

Unusual Adsorption Behavior on Metal−Organic Frameworks

Simulation Study of the Effect of the Chemical Heterogeneity of Activated Carbon on Water Adsorption

Experimental and Computer Simulation Studies of the Adsorption of Ethane, Carbon Dioxide, and Their Binary Mixtures in MCM-41

Grand-Canonical Monte Carlo Adsorption Studies on SBA‑2 Periodic Mesoporous Silicas

Generation of Atomistic Models of Periodic Mesoporous Silica by Kinetic Monte Carlo Simulation of the Synthesis of the Material

Heats of Adsorption and Adsorption Heterogeneity for Methane, Ethane, and Carbon Dioxide in MCM-41

Influence of Surface Groups on the Diffusion of Gases in MCM-41: A Molecular Dynamics Study

Molecular Dynamics Simulation of the Early Stages of the Synthesis of Periodic Mesoporous Silica

Pore-Network Connectivity and Molecular Sieving of Normal and Isoalkanes in the Mesoporous Silica SBA‑2

Molecular Simulation of Silica/Surfactant Self-Assembly in the Synthesis of Periodic Mesoporous Silicas

Adsorption Properties of Templated Mesoporous Carbon (CMK-1) for Nitrogen and Supercritical MethaneExperiment and GCMC Simulation

Adsorption of Methane, Ethane, and Their Binary Mixtures on MCM-41: Experimental Evaluation of Methods for the Prediction of Adsorption Equilibrium

Corrigendum to “Towards predictive molecular simulations of normal and branched alkane adsorption in carbonaceous engine deposits” [Carbon 49 (2011) 445–456]

Monte Carlo Simulation and Pore-Size Distribution Analysis of the Isosteric Heat of Adsorption of Methane in Activated Carbon

Effect of pore wall model on prediction of diffusion coefficients for graphitic slit pores

Kinetic Monte Carlo Simulation of the Synthesis of Periodic Mesoporous Silicas SBA‑2 and STAC-1: Generation of Realistic Atomistic Models

Design of Hybrid Organic/Inorganic Adsorbents Based on Periodic Mesoporous Silica

Adsorption Equilibrium of Binary Methane/Ethane Mixtures in BPL Activated Carbon: Isotherms and Calorimetric Heats of Adsorption

Towards predictive molecular simulations of normal and branched alkane adsorption in carbonaceous engine deposits

Predicting adsorption of water/organic mixtures using molecular simulation

A Self-Consistent Method for Characterization of Activated Carbons Using Supercritical Adsorption and Grand Canonical Monte Carlo Simulations

Packing of adsorbed molecules in microporous polymorphs aluminium methylphosphonates α and β

Characterisation of porous solids VIII: proceedings of the 8th international symposium on the characterisation of porous solids.

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