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Solubility of Hydrogen Sulfide in Water
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October 1977 |
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Direct Volumetric Measurement of Gas Oversolubility in Nanoliquids: Beyond Henry’s Law
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August 2009 |
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GROMACS: Fast, flexible, and free
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January 2005 |
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MDAnalysis: A toolkit for the analysis of molecular dynamics simulations
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April 2011 |
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Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models
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October 1992 |
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Mesoporous-molecular-sieve-supported Polymer Sorbents for Removing H2S from Hydrogen Gas Streams
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April 2008 |
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Quiet high-resolution computer models of a plasma
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February 1974 |
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Self-diffusion coefficient of water confined in mesoporous MCM-41 materials determined by 1H nuclear magnetic resonance spin-echo measurements
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November 1995 |
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The reversibility of the adsorption of methane–methyl mercaptan mixtures in nanoporous carbon
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January 2012 |
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Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach
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April 2005 |
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Effect of confinement on the hydration and solubility of NaCl in water
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November 2006 |
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Influence of the mesoconfining solid on gas oversolubility in nanoliquids
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January 2010 |
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Monte Carlo predictions for the phase behavior of H2 S+n-alkane, H2 S+CO2, CO2+CH4 and H2 S+CO2+CH4 mixtures
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August 2006 |
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Water/acid gas interfacial tensions and their impact on acid gas geological storage
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October 2008 |
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Molecular dynamics simulations for selection of kinetic hydrate inhibitors
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June 2005 |
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Water-solubility-driven separation of gases using graphene membrane
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February 2013 |
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Investigation of hydrogen sulfide stress corrosion cracking of PH 13-8 Mo stainless steel
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January 2006 |
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Catalytic oxidation of hydrogen sulfide over unmodified and impregnated activated carbon
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March 2008 |
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GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
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September 2015 |
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A reappraisal of what we have learnt during three decades of computer simulations on water
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November 2002 |
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Catalyst deactivation
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September 1999 |
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Screening of rare earth metal grafted MCM-41 silica for asymmetric catalysis
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April 2001 |
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CO 2 –C 4 H 10 Mixtures Simulated in Silica Slit Pores: Relation between Structure and Dynamics
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journal
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June 2015 |
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Solubility of Gases in Water Confined in Nanoporous Materials: ZSM-5, MCM-41, and MIL-100
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journal
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September 2015 |
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Transport Mechanism of Guest Methane in Water-Filled Nanopores
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May 2017 |
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Hydrophobic Solvation of Gases (CO 2 , CH 4 , H 2 , Noble Gases) in Clay Interlayer Nanopores
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November 2017 |
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Propane–Water Mixtures Confined within Cylindrical Silica Nanopores: Structural and Dynamical Properties Probed by Molecular Dynamics
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September 2017 |
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Confined Water Determines Transport Properties of Guest Molecules in Narrow Pores
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July 2016 |
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Adsorption and Reaction of Trace Gas-Phase Organic Compounds on Atmospheric Water Film Surfaces: A Critical Review
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February 2010 |
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Amine-Grafted MCM-48 and Silica Xerogel as Superior Sorbents for Acidic Gas Removal from Natural Gas
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June 2003 |
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Molecular Dynamics Simulation of Anion Effect on Solubility, Diffusivity, and Permeability of Carbon Dioxide in Ionic Liquids
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June 2014 |
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Phase Behavior in the Hydrogen Sulfide-Water System
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September 1952 |
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Solubility of Single Gases Carbon Dioxide and Hydrogen Sulfide in Aqueous Solutions of N -Methyldiethanolamine in the Temperature Range 313−413 K at Pressures up to 5 MPa
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January 1996 |
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Diffusion Coefficients for Hydrogen Sulfide, Carbon Dioxide, and Nitrous Oxide in Water over the Temperature Range 293-368 K
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April 1994 |
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Structure and Dynamics of the TIP3P, SPC, and SPC/E Water Models at 298 K
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November 2001 |
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Why Clays Swell
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December 2002 |
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Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field
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journal
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January 2004 |
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Gas Solubility in Hydrophobic Confinement
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journal
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December 2005 |
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Aqueous NaCl Solutions within Charged Carbon-Slit Pores: Partition Coefficients and Density Distributions from Molecular Dynamics Simulations
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journal
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June 2011 |
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Solvation of Hydrogen Sulfide in Liquid Water and at the Water–Vapor Interface Using a Polarizable Force Field
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journal
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January 2014 |
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Aqueous Methane in Slit-Shaped Silica Nanopores: High Solubility and Traces of Hydrates
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February 2014 |
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Molecular Structure and Dynamics in Thin Water Films at the Silica and Graphite Surfaces
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journal
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July 2008 |
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Dynamic Behavior of Interfacial Water at the Silica Surface
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journal
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October 2009 |
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Molecular Dynamics Simulations of the Liquid/Vapor Interface of SPC/E Water
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January 1996 |
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Gas Uptake in Solvents Confined in Mesopores: Adsorption versus Enhanced Solubility
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June 2013 |
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Preferential Adsorption from Liquid Water–Ethanol Mixtures in Alumina Pores
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June 2014 |
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Attractive Surface Force in the Presence of Dissolved Gas: A Molecular Approach †
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journal
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February 2008 |
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Hydration Structure on Crystalline Silica Substrates
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journal
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July 2009 |
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What is principal component analysis?
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March 2008 |
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Clathrate hydrates with hydrogen-bonding guests
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January 2009 |
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The Statistical Mechanical Theory of Surface Tension
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March 1949 |
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A smooth particle mesh Ewald method
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journal
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November 1995 |
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On calculation of thermal conductivity from Einstein relation in equilibrium molecular dynamics
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July 2012 |
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Influence of the long-range corrections on the interfacial properties of molecular models using Monte Carlo simulation
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January 2013 |
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Effect of confinement in nano-porous materials on the solubility of a supercritical gas
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September 2016 |
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A molecular dynamics method for simulations in the canonical ensemble
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June 1984 |
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Interfacial water on crystalline silica: a comparative molecular dynamics simulation study
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March 2011 |
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Canonical dynamics: Equilibrium phase-space distributions
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March 1985 |
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Thin Silicone Membranes-Their Permeation Properties and some Applications
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January 1968 |
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The Solubility of Hydrogen Sulphide in Water from the Vapor Pressures of the Solutions
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journal
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January 1932 |
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Aqueous Nonelectrolyte Solutions. Part VIII. Deuterium and Hydrogen Sulfides Solubilities in Deuterium Oxide and Water
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March 1971 |
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From Interfacial Water to Macroscopic Observables: A Review
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journal
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March 2011 |
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A Molecular Dynamics Study on Natural Gas Solubility Enhancement in Water Confined to Small Pores
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conference
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October 2009 |
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Acid Gases in CO2-rich Subsurface Geologic Environments
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journal
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January 2013 |
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MDAnalysis: A Python Package for the Rapid Analysis of Molecular Dynamics Simulations
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conference
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January 2016 |