Influence of combining rules on the cavity occupancy of clathrate hydrates by Monte Carlo simulations

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

On the limitation of the van der Waals-Platteeuw-based thermodynamic models for hydrates with multiple occupancy of cavities

(2012) Ioannis N. Tsimpanogiannis et al.   MOLECULAR PHYSICS

Considering multiple occupancy of cavities in clathrate hydrate phase equilibrium calculations

(2011) Alireza Asiaee et al.   JOURNAL OF CHEMICAL THERMODYNAMICS

Experimental and Computational Investigation of the sII Binary He−THF Hydrate

(2011) Nikolaos I. Papadimitriou et al.   JOURNAL OF PHYSICAL CHEMISTRY B

High-Pressure Gas Hydrates of Argon: Compositions and Equations of State

(2011) Andrey Yu. Manakov et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Optimized Unlike-Pair Interactions for Water–Carbon Dioxide Mixtures Described by the SPC/E and EPM2 Models

(2011) Lukas Vlcek et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Modeling of phase transformation sII–sH in Ar hydrates at high pressure

(2010) N.A. Nemov et al.   COMPUTATIONAL MATERIALS SCIENCE

Thermodynamic phase behavior of binary clathrate hydrates: Computational prediction

(2010) V.R. Belosludov et al.   COMPUTATIONAL MATERIALS SCIENCE

Current perspectives on gas hydrate resources

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

Vapor-liquid nucleation of argon: Exploration of various intermolecular potentials

(2010) Matthew J. McGrath et al.   JOURNAL OF CHEMICAL PHYSICS

Phase changes of CO2 hydrate under high pressure and low temperature

(2010) Hisako Hirai et al.   JOURNAL OF CHEMICAL PHYSICS

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

(2010) M. M. Conde 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

Unexpected Behavior of Helium as Guest Gas in sII Binary Hydrates

(2010) Nikolaos I. Papadimitriou et al.   Journal of Physical Chemistry Letters

Gas hydrates: past and future geohazard?

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

Purification of Natural Gases with High CO2Content Using Gas Hydrates

(2009) Nena Dabrowski et al.   ENERGY & FUELS

Accurate description of phase diagram of clathrate hydrates at the molecular level

(2009) Rodion V. Belosludov et al.   JOURNAL OF CHEMICAL PHYSICS

Theoretical study of phase transitions in Kr and Ar clathrate hydrates from structure II to structure I under pressure

(2009) Oleg S. Subbotin et al.   JOURNAL OF CHEMICAL PHYSICS

Augmented stability of hydrogen clathrate hydrates by weakly polar molecules

(2009) Takato Nakayama et al.   JOURNAL OF CHEMICAL PHYSICS

Phase Diagram and High-Pressure Boundary of Hydrate Formation in the Carbon Dioxide−Water System

(2009) Andrej Yu. Manakov et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Thermodynamic Modeling of Promoted Structure II Clathrate Hydrates of Hydrogen

(2009) Ángel Martín 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

Prediction of binary intermolecular potential parameters for use in modelling fluid mixtures

(2008) Andrew J. Haslam et al.   FLUID PHASE EQUILIBRIA

Non-Lorentz–Berthelot Lennard-Jones mixtures: A systematic study

(2008) Michael Rouha et al.   FLUID PHASE EQUILIBRIA

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

The effects of deviations from Lorentz–Berthelot rules on the properties of a simple mixture

(2008) Dezső Boda et al.   MOLECULAR PHYSICS

Monte Carlo study of sII and sH argon hydrates with multiple occupancy of cages

(2008) N.I. Papadimitriou et al.   MOLECULAR SIMULATION

High-pressure gas hydrates

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