Keith E. Gubbins
Authored
(636c) The Properties of Asymmetric Binary Lennard-Jones Mixtures Using Coarse-Grained Two-Body Effective Potentials2006 Annual Meeting
(476b) The Influence of Physical Interactions on Chemical Reactions in Confinement2006 Annual Meeting
(73g) Dissociation of Water on Defective Carbon Substrates2006 Annual Meeting
(321k) Coarse-Graining and Soft Matter Systems: Bridging the Atomistic-Meso Scales2006 Annual Meeting
(381d) Microstructural Analysis and Adsorption Properties of Porous Carbons Using Molecular Simulation2006 Annual Meeting
(293f) Carbon Replica from Silica Template Using Grand Canonical Monte Carlo Simulations2006 Annual Meeting
(159k) Effect of Confinement on Chemical Reactions2006 Annual Meeting
(185e) A Double Exponential Effect Of Confinement On Reaction Rates2007 Annual Meeting
(39b) Methane Decomposition Over Graphene Edges For Co And CO2-Free Hydrogen Production2007 Annual Meeting
(630f) Sequestration and Selective Oxidation of Carbon Monoxide on Graphene Edges2007 Annual Meeting
(250b) A Monte Carlo Study of Gas Adsorption on Atomistic Models of Templated Mesoporous Silicas2007 Annual Meeting
(113f) Molecular Modeling Of Carbon Replica Obtained From Silica Template Using Grand Canonical Monte Carlo Simulations2007 Annual Meeting
(432c) Multiscale Simulation Of The Self-Assembly Of Nonionic Poly(Oxyethylene) Alkyl Ether Surfactants2007 Annual Meeting
(181g) Freezing/melting of Liquids In Cylindrical Nanopores2008 Annual Meeting
(426e) Hybrid Reverse Monte Carlo Simulations of Activated Carbons Used as Adsorbents for Chemical and Biological Warfare Agents2008 Annual Meeting
(208c) Crossover from Fickian to Single-File Diffusion of Fluids Confined In Carbon Nanotubes2008 Annual Meeting
(426f) Transition from Fickian to Single-File Diffusion for Binary Lennard-Jones Mixtures In Single-Walled Carbon Nanotubes2008 Annual Meeting
(608c) Molecular Design for Organic Solar Cells2008 Annual Meeting
(600h) Periodic Mesoporous Organosilicas (PMOs) for Hydrogen Purification and Storage2008 Annual Meeting
(319a) Molecular Simulation as a Foundation for Engineering Models: Impact and Prospects2008 Annual Meeting
(490i) Molecular Modeling and Adsorption Properties of Silica Templated Mesoporous Carbons2008 Annual Meeting
(604f) Diffusion Mechanisms of Fluids Confined in Carbon Nanotubes, Carbon Nanotube Bundles and Hierarchial Carbons: Single-File, Fickian and Dual-Mode Diffusion2009 Annual Meeting
(178r) Anomalous and Single-File Diffusion for Fluids Confined in Microporous Carbons: Activated Carbon, Carbon Replicas, and Carbon Nanotube Systems2009 Annual Meeting
(665j) Atomistic Models of Activated Carbons2009 Annual Meeting
(318b) Molecular Dynamics Studies of Diffusion and Solvation of Rubidium Bromide Solutions In Nanoconfinement2011 Annual Meeting
(559b) Ammonia Adsorption On Cu-MOF: a Molecular Simulation Approach2011 Annual Meeting
(392g) A Reactive Molecular Dynamics Simulation of Hydrogen Sulfide Dissociation Over Graphene Oxide2011 Annual Meeting
(228a) Solvation Structure of Ions in Model Disordered Carbon Electrodes2012 AIChE Annual Meeting
(754c) Surface Chemistry of TiO2: Hydrophilic or Hydrophobic2012 AIChE Annual Meeting
(223b) Water Adsorption Isotherms in Molecularly Reconstructed Models of Activated and Un-Activated Carbons Obtained from Saccharose
2005 Annual Meeting
(42d) A Simulation Study of Capillary Condensation and Freezing of Krypton within Realistic Models of MCM-41 Materials2005 Annual Meeting
(356g) Catalytic Role of Defective Carbon Substrates in the Dissociation of Water2005 Annual Meeting
(597c) Modeling Porous Carbons by Reverse Monte Carlo and Simultaneous Energy Minimization2005 Annual Meeting
(309d) From Atomistic to Mesoscale Models: Coarse-Graining Techniques2005 Annual Meeting
(28h) Coarse-Grained Potentials from Widom's Particle Insertion Method2005 Annual Meeting
(559a) Molecular Models of Mcf and Sba-15 and Gas Adsorption: a Molecular Simulation Study2005 Annual Meeting
(303c) Pressure Tensor of Fluids in Nanopores of Various Geometries: Molecular Simulation Studies By Mechanical Route and Thermodynamics Route
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(299g) Confinement Effect on Chemical Reaction Yield: The Nitric Oxide Dimer Reaction
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(597a) Development of Realistic Models of MCM-41 Materials for Gas Adsorption Studies2005 Annual Meeting
(109d) Quasi-High Pressure Effects in Nanopores2010 Annual Meeting
(523e) Application of the BET Method to Microporous Materials2010 Annual Meeting
(109a) Molecular Modeling of Nanoporous Carbons: Atomistic Models and Simulated Adsorption2010 Annual Meeting
(675f) Conformal Sites Model for Adsorbed Films on Energetically Heterogeneous Surface
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(687a) Controllable Phase Transition of CuBTC Metal-Organic Framework and Its Application in CO2 Capture and Storage
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(505d) The Search for High-Pressure Ice Phases in Nanoconfined Water Via Molecular Simulation
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(645c) Exploring the Effect of Pore Morphology On Model Electrochemical Double-Layer Capacitor Systems
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(376ai) High-Pressure Phenomena in Adsorbed Films: A New Route to an Experimental Determination of Effective Tangential Pressure
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(350b) Bottom-up Approach to the Coarse-Grained Surface Model: Effective Solid-Fluid Potentials for Adsorption on Heterogeneous Surfaces
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(746d) Thermodynamics in Reduced Dimensionalities
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(220h) Can We Define a Unique Microscopic Pressure in Inhomogeneous Fluids?
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(443g) Phase Transitions of Water Confined in Nanopores
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
Associated proceedings
2006 Annual Meeting
2007 Annual Meeting
2008 Annual Meeting
2009 Annual Meeting
2011 Annual Meeting
2012 AIChE Annual Meeting
2005 Annual Meeting
2016 AIChE Annual Meeting
2010 Annual Meeting
2017 Annual Meeting
2013 AIChE Annual Meeting
2019 AIChE Annual Meeting
2020 Virtual AIChE Annual Meeting