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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 110, 2012 - Issue 11-12: Thermodynamics 2011 Conference
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Invited Articles

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

Ioannis N. Tsimpanogiannis Environmental Research Laboratory, National Center for Scientific Research ‘Demokritos’, 15310 Agia Paraskevi, GreeceCorrespondence[email protected]
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,
Nikolaos I. Papadimitriou Environmental Research Laboratory, National Center for Scientific Research ‘Demokritos’, 15310 Agia Paraskevi, Greece
&
Athanassios K. Stubos Environmental Research Laboratory, National Center for Scientific Research ‘Demokritos’, 15310 Agia Paraskevi, Greece
Pages 1213-1221 | Received 24 Nov 2011, Accepted 06 Feb 2012, Published online: 16 Mar 2012

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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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Nikolaos I. Papadimitriou, Ioannis N. Tsimpanogiannis, Ioannis G. Economou & Athanassios K. Stubos. (2014) Influence of combining rules on the cavity occupancy of clathrate hydrates by Monte Carlo simulations. Molecular Physics 112:17, pages 2258-2274.
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Matthew Lasich, Amir H. Mohammadi, Kim Bolton, Jadran Vrabec & Deresh Ramjugernath. (2014) On the application of binary correction factors in lattice distortion calculations for methane clathrate hydrates. Philosophical Magazine 94:9, pages 974-990.
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Articles from other publishers (21)

Jesús Algaba, Miguel J. Torrejón & Felipe J. Blas. (2023) Dissociation line and driving force for nucleation of the nitrogen hydrate from computer simulation. The Journal of Chemical Physics 159:22.
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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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Ruyi Zheng, Zhixing Wang, Xiaoli Li, Zhaoqi Fan & Shahin Negahban. (2022) Structural and dynamic analyses of CH4-C2H6-CO2 hydrates using thermodynamic modeling and molecular dynamic simulation. The Journal of Chemical Thermodynamics 169, pages 106749.
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Zeyuan Wang, Jun Duan, Shujun Chen, Yue Fu, Xiangfu Li, Di Wang, Ming Zhang, Zhiqiang Zhang, Dandan Liu & Fenghao Wang. (2022) A review on high-density methane storage in confined nanospace by adsorption-hydration hybrid technology. Journal of Energy Storage 50, pages 104195.
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Saman Alavi & John A. Ripmeester. 2022. Clathrate Hydrates. Clathrate Hydrates 283 367 .
Xin Chen & Huazhou Li. (2022) New pragmatic strategies for optimizing Kihara potential parameters used in van der Waals-Platteeuw hydrate model. Chemical Engineering Science 248, pages 117213.
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Niraj Thakre & Amiya K. Jana. (2021) Physical and molecular insights to Clathrate hydrate thermodynamics. Renewable and Sustainable Energy Reviews 135, pages 110150.
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S. Hielscher, B. Semrau, A. Jäger, V. Vinš, C. Breitkopf, J. Hrubý & R. Span. (2019) Modification of a model for mixed hydrates to represent double cage occupancy. Fluid Phase Equilibria 490, pages 48-60.
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Nianxiang Qiu, Xiaojing Bai, Jiaqi Xu, Ningru Sun, Joseph S. Francisco, Minghui Yang, Qing Huang & Shiyu Du. (2018) Adsorption Behaviors and Phase Equilibria for Clathrate Hydrates of Sulfur- and Nitrogen-Containing Small Molecules. The Journal of Physical Chemistry C 123:5, pages 2691-2702.
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Ehsan Heidaryan, Maria Dolores Robustillo Fuentes & Pedro de Alcântara Pessôa Filho. (2018) Equilibrium of Methane and Carbon Dioxide Hydrates Below the Freezing Point of Water: Literature Review and Modeling. Journal of Low Temperature Physics 194:1-2, pages 27-45.
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Nianxiang Qiu, Xiaojing Bai, Ningru Sun, Xiaohui Yu, Longbin Yang, Yanjun Li, Minghui Yang, Qing Huang & Shiyu Du. (2018) Grand Canonical Monte Carlo Simulations on Phase Equilibria of Methane, Carbon Dioxide, and Their Mixture Hydrates. The Journal of Physical Chemistry B 122:42, pages 9724-9737.
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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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Claire Petuya, Françoise Damay, Sarah Desplanche, Christian Aupetit & Arnaud Desmedt. (2018) Ageing and Langmuir Behavior of the Cage Occupancy in the Nitrogen Gas Hydrate. Crystals 8:4, pages 145.
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Matthew Lasich. (2018) An improved description of clathrate hydrates using classical density functional theory coupled with a simple lattice gas and van der Waals-Platteeuw theory. Fluid Phase Equilibria 456, pages 131-139.
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Ali Rasoolzadeh & Alireza Shariati. (2017) Considering double occupancy of large cages in nitrogen and oxygen hydrates at high pressures. Fluid Phase Equilibria 434, pages 107-116.
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Yi-song Yu, Shi-dong Zhou, Xiao-sen Li & Shu-li Wang. (2016) Effect of graphite nanoparticles on CO2 hydrate phase equilibrium. Fluid Phase Equilibria 414, pages 23-28.
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Niall J. English & J.M.D. MacElroy. (2015) Perspectives on molecular simulation of clathrate hydrates: Progress, prospects and challenges. Chemical Engineering Science 121, pages 133-156.
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Matthew Lasich, Amir H. Mohammadi, Kim Bolton, Jadran Vrabec & Deresh Ramjugernath. (2014) Influence of unlike dispersion interactions in modeling methane clathrate hydrates. Fluid Phase Equilibria 381, pages 108-115.
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Sheida Shahnazar & Nurul Hasan. (2014) Gas hydrate formation condition: Review on experimental and modeling approaches. Fluid Phase Equilibria 379, pages 72-85.
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Matthew Lasich, Amir H. Mohammadi, Kim Bolton, Jadran Vrabec & Deresh Ramjugernath. (2014) Phase equilibria of methane clathrate hydrates from Grand Canonical Monte Carlo simulations. Fluid Phase Equilibria 369, pages 47-54.
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Rodion V. Belosludov, Yulia Y. Bozhko, Oleg S. Subbotin, Vladimir R. Belosludov, Hiroshi Mizuseki, Yoshiyuki Kawazoe & Vasily M. Fomin. (2014) Stability and Composition of Helium Hydrates Based on Ices I h and II at Low Temperatures . The Journal of Physical Chemistry C 118:5, pages 2587-2593.
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