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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 114, 2016 - Issue 18: Thermodynamics 2015 Conference
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Articles

The effect of lattice constant on the storage capacity of hydrogen hydrates: a Monte Carlo study

Nikolaos I. PapadimitriouEnvironmental Research Laboratory, National Center for Scientific Research “Demokritos”, Athens, GreeceView further author information
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Ioannis N. TsimpanogiannisEnvironmental Research Laboratory, National Center for Scientific Research “Demokritos”, Athens, Greece;Chemical Engineering Program, Texas A&M University at Qatar, Doha, QatarCorrespondence[email protected]
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Ioannis G. EconomouChemical Engineering Program, Texas A&M University at Qatar, Doha, QatarView further author information
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Athanassios K. StubosEnvironmental Research Laboratory, National Center for Scientific Research “Demokritos”, Athens, GreeceView further author information
Pages 2664-2671 | Received 15 Feb 2016, Accepted 09 Jun 2016, Published online: 01 Jul 2016

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Ioannis N. Tsimpanogiannis, Joseph Costandy, Panagiotis Kastanidis, Sally El Meragawi, Vasileios K. Michalis, Nikolaos I. Papadimitriou, Stylianos N. Karozis, Nikolaos I. Diamantonis, Othonas A. Moultos, George E. Romanos, Athanassios K. Stubos & Ioannis G. Economou. (2018) Using clathrate hydrates for gas storage and gas-mixture separations: experimental and computational studies at multiple length scales. Molecular Physics 116:15-16, pages 2041-2060.
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Nikolaos I. Papadimitriou, Ioannis   N. Tsimpanogiannis, Ioannis   G. Economou & Athanassios  K. Stubos. (2017) Storage of H2 in Clathrate Hydrates: Evaluation of Different Force-Fields used in Monte Carlo Simulations. Molecular Physics 115:9-12, pages 1274-1285.
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Articles from other publishers (16)

Felix Fiedler, Václav Vinš, Andreas Jäger & Roland Span. (2024) Modification of the van der Waals and Platteeuw model for gas hydrates considering multiple cage occupancy. The Journal of Chemical Physics 160:9.
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Raquel Yanes-Rodríguez & Rita Prosmiti. (2024) Analysing the stability of He-filled hydrates: how many He atoms fit in the sII crystal?. Physical Chemistry Chemical Physics 26:3, pages 2519-2528.
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Tinku Saikia, Shirish Patil & Abdullah Sultan. (2023) Hydrogen Hydrate Promoters for Gas Storage—A Review. Energies 16:6, pages 2667.
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Pawan Gupta & Rohit Srivastava. 2023. Solar-Driven Green Hydrogen Generation and Storage. Solar-Driven Green Hydrogen Generation and Storage 87 101 .
Vasileios K. Michalis, Ioannis G. Economou, Athanasios K. Stubos & Ioannis N. Tsimpanogiannis. (2022) Phase equilibria molecular simulations of hydrogen hydrates via the direct phase coexistence approach. The Journal of Chemical Physics 157:15.
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Anshul Gupta, Gino V. Baron, Patrice Perreault, Silvia Lenaerts, Radu-George Ciocarlan, Pegie Cool, Paulo G.M. Mileo, Sven Rogge, Veronique Van Speybroeck, Geert Watson, Pascal Van Der Voort, Maarten Houlleberghs, Eric Breynaert, Johan Martens & Joeri F.M. Denayer. (2021) Hydrogen Clathrates: Next Generation Hydrogen Storage Materials. Energy Storage Materials 41, pages 69-107.
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Antoine Patt & Sylvain Picaud. (2021) Molecular Selectivity of CH 4 –C 2 H 6 Mixed Hydrates: A GCMC Study . ACS Earth and Space Chemistry 5:7, pages 1782-1791.
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Joseph R. Cendagorta, Hengyuan Shen, Zlatko Bačić & Mark E. Tuckerman. (2020) Enhanced Sampling Path Integral Methods Using Neural Network Potential Energy Surfaces with Application to Diffusion in Hydrogen Hydrates. Advanced Theory and Simulations 4:4.
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Tomohiro Hasegawa, Paul E. Brumby, Kenji Yasuoka & Amadeu K. Sum. (2020) Mechanism for H2 diffusion in sII hydrates by molecular dynamics simulations. The Journal of Chemical Physics 153:5.
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Ioannis N. Tsimpanogiannis, Ioannis G. Economou & Athanassios K. Stubos. (2019) A Practical Methodology to Estimate the H 2 Storage Capacity of Pure and Binary Hydrates Based on Monte Carlo Simulations . Journal of Chemical & Engineering Data 65:3, pages 1289-1299.
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Ma, Zhong, Liu, Zhong, Yan, Zhang & Xu. (2019) Molecular Insights into Cage Occupancy of Hydrogen Hydrate: A Computational Study. Processes 7:10, pages 699.
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Matthew Lasich & Kaniki Tumba. (2019) Single-site Langmuir-type adsorption in structure-I clathrate hydrates: A molecular simulation study using a general self-consistent force field. Fluid Phase Equilibria 489, pages 111-116.
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Paul E. Brumby, Daisuke Yuhara, Tomohiro Hasegawa, David T. Wu, Amadeu K. Sum & Kenji Yasuoka. (2019) Cage occupancies, lattice constants, and guest chemical potentials for structure II hydrogen clathrate hydrate from Gibbs ensemble Monte Carlo simulations. The Journal of Chemical Physics 150:13.
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Nikolaos I. Papadimitriou, Ioannis N. Tsimpanogiannis, Ioannis G. Economou & Athanassios K. Stubos. (2018) Monte Carlo simulations of the separation of a binary gas mixture (CH 4 + CO 2 ) using hydrates . Physical Chemistry Chemical Physics 20:44, pages 28026-28038.
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Ioannis N. Tsimpanogiannis & Ioannis G. Economou. (2018) Monte Carlo simulation studies of clathrate hydrates: A review. The Journal of Supercritical Fluids 134, pages 51-60.
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Nikolaos I. Papadimitriou, Ioannis N. Tsimpanogiannis, Ioannis G. Economou & Athanassios K. Stubos. (2018) Identification of conditions for increased methane storage capacity in sII and sH clathrate hydrates from Monte Carlo simulations. The Journal of Chemical Thermodynamics 117, pages 128-137.
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