Prediction of the phase equilibria of methane hydrates using the direct phase coexistence methodology

Methane solubility in aqueous solutions under two-phase (H–Lw) hydrate equilibrium conditions

(2014) Ioannis N. Tsimpanogiannis et al.   FLUID PHASE EQUILIBRIA

Theoretical investigation of structures and compositions of double neon-methane clathrate hydrates, depending on gas phase composition and pressure

(2014) Yu. Yu. Bozhko et al.   Journal of Engineering Thermophysics

Effect of Bubble Formation on the Dissociation of Methane Hydrate in Water: A Molecular Dynamics Study

(2014) Takuma Yagasaki et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Aqueous Methane in Slit-Shaped Silica Nanopores: High Solubility and Traces of Hydrates

(2014) Anh Phan et al.   Journal of Physical Chemistry C

Nucleation of Methane Hydrates at Moderate Subcooling by Molecular Dynamics Simulations

(2014) Felipe Jiménez-Ángeles et al.   Journal of Physical Chemistry C

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

(2013) Sander Pronk et al.   BIOINFORMATICS

Recovery of CH4 from coal mine model gas mixture (CH4/N2) by hydrate crystallization in the presence of cyclopentane

(2013) Dong-Liang Zhong et al.   FUEL

On fluid-solid direct coexistence simulations: The pseudo-hard sphere model

(2013) Jorge R. Espinosa et al.   JOURNAL OF CHEMICAL PHYSICS

Note: A simple correlation to locate the three phase coexistence line in methane-hydrate simulations

(2013) M. M. Conde et al.   JOURNAL OF CHEMICAL PHYSICS

Heat Transfer Calculations for Decomposition of Structure I Methane Hydrates by Molecular Dynamics Simulation

(2013) Vikesh Singh Baghel et al.   Journal of Physical Chemistry C

Melting and superheating of sI methane hydrate: Molecular dynamics study

(2012) Grigory S. Smirnov et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular Modeling of the Dissociation of Methane Hydrate in Contact with a Silica Surface

(2012) S. Alireza Bagherzadeh et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Homogeneous Nucleation of Methane Hydrate in Microsecond Molecular Dynamics Simulations

(2012) Sapna Sarupria et al.   Journal of Physical Chemistry Letters

Modelling the effect of methanol, glycol inhibitors and electrolytes on the equilibrium stability of hydrates with the SAFT-VR approach

(2012) Simon Dufal et al.   MOLECULAR PHYSICS

Molecular dynamics simulation of replacement of methane hydrate with carbon dioxide

(2012) Yoshio Iwai et al.   MOLECULAR SIMULATION

A new apparatus for seawater desalination by gas hydrate process and removal characteristics of dissolved minerals (Na+, Mg2+, Ca2+, K+, B3+)

(2011) Kyeong-nam Park et al.   DESALINATION

Molecular dynamics simulation of replacement of CH4 in hydrate with CO2

(2011) Yingxia Qi et al.   ENERGY CONVERSION AND MANAGEMENT

Estimation of the global amount of submarine gas hydrates formed via microbial methane formation based on numerical reaction-transport modeling and a novel parameterization of Holocene sedimentation

(2011) E.B. Burwicz et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Molecular simulation of non-equilibrium methane hydrate decomposition process

(2011) S.Alireza Bagherzadeh et al.   JOURNAL OF CHEMICAL THERMODYNAMICS

Molecular Dynamics Study of Carbon Dioxide Hydrate Dissociation

(2011) Sapna Sarupria et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Methane Hydrate Nucleation Rates from Molecular Dynamics Simulations: Effects of Aqueous Methane Concentration, Interfacial Curvature, and System Size

(2011) Matthew R. Walsh et al.   Journal of Physical Chemistry C

Applying the Z method to estimate temperatures of melting in structure II clathrate hydrates

(2011) Aaron R. Finney et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Crystal growth simulations of methane hydrates in the presence of silica surfaces

(2011) Shuai Liang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Using the face-saturated incomplete cage analysis to quantify the cage compositions and cage linking structures of amorphous phase hydrates

(2011) Guang-Jun Guo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Current perspectives on gas hydrate resources

(2010) Ray Boswell et al.   Energy & Environmental Science

Determining the three-phase coexistence line in methane hydrates using computer simulations

(2010) M. M. Conde et al.   JOURNAL OF CHEMICAL PHYSICS

Nonequilibrium adiabatic molecular dynamics simulations of methane clathrate hydrate decomposition

(2010) Saman Alavi et al.   JOURNAL OF CHEMICAL PHYSICS

Calculation of Liquid Water−Hydrate−Methane Vapor Phase Equilibria from Molecular Simulations

(2010) Lars Jensen et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The Growth of Structure I Methane Hydrate from Molecular Dynamics Simulations

(2010) Yen-Tien Tung et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Gas hydrates: past and future geohazard?

(2010) M. Maslin et al.   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Computational approach to study hydrogen storage in clathrate hydrates

(2009) N.I. Papadimitriou et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Purification of Natural Gases with High CO2Content Using Gas Hydrates

(2009) Nena Dabrowski et al.   ENERGY & FUELS

Capture of carbon dioxide from flue or fuel gas mixtures by clathrate crystallization in a silica gel column

(2009) Adebola Adeyemo et al.   International Journal of Greenhouse Gas Control

The phase diagram of water at negative pressures: Virtual ices

(2009) M. M. Conde et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular dynamics study of thermal-driven methane hydrate dissociation

(2009) Niall J. English et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular Simulation of the Potential of Methane Reoccupation during the Replacement of Methane Hydrate by CO2

(2009) Chun-Yu Geng et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Molecular Dynamics Simulations of Methane Hydrate Decomposition†

(2009) Evgeniy M. Myshakin et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Thermodynamic Stability and Growth of Guest-Free Clathrate Hydrates: A Low-Density Crystal Phase of Water

(2009) Liam C. Jacobson et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Morphometric and critical taper analysis of the Rock Garden region, Hikurangi Margin, New Zealand: Implications for slope stability and potential tsunami generation

(2009) Nina Kukowski et al.   MARINE GEOLOGY

Mechanisms for Thermal Conduction in Methane Hydrate

(2009) Niall J. English et al.   PHYSICAL REVIEW LETTERS

Microsecond Simulations of Spontaneous Methane Hydrate Nucleation and Growth

(2009) M. R. Walsh et al.   SCIENCE

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Molecular Dynamics Simulations of the Thermal Conductivity of Methane Hydrate

(2008) Hao Jiang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Hydrogen Storage in sH Hydrates: A Monte Carlo Study

(2008) N. I. Papadimitriou et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Evaluation of the Hydrogen-Storage Capacity of Pure H2 and Binary H2-THF Hydrates with Monte Carlo Simulations

(2008) N. I. Papadimitriou et al.   Journal of Physical Chemistry C

Effect of electrostatics techniques on the estimation of thermal conductivity via equilibrium molecular dynamics simulation: application to methane hydrate

(2008) Niall J. English   MOLECULAR PHYSICS

The interface between water and a hydrophobic gas

(2008) Stewart K. Reed et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ocean methane hydrates as a slow tipping point in the global carbon cycle

(2008) D. Archer et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

High-pressure gas hydrates

(2007) J. S. Loveday et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS