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Original Articles

Molecular dynamics study of gas permeation through amorphous silica network and inter-particle pores on microporous silica membranes

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Pages 191-202 | Received 06 Jul 2003, Accepted 20 Nov 2003, Published online: 21 Aug 2006

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Eiji Kamio, Tomohisa Yoshioka & Hideto Matsuyama. (2023) Recent Advances in Carbon Dioxide Separation Membranes: A Review. Journal of Chemical Engineering of Japan 56:1.
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Takashi Tachibana, Tomohisa Yoshioka, Keizo Nakagawa, Takuji Shintani, Eiji Kamio & Hideto Matsuyama. (2020) Gas Permeation Characteristics of TiO2-ZrO2-Aromatic Organic Chelating Ligand (aOCL) Composite Membranes. Membranes 10:12, pages 388.
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Takayuki Nagano, Koji Sato & Koichi Kawahara. (2020) Gas Permeation Property of Silicon Carbide Membranes Synthesized by Counter-Diffusion Chemical Vapor Deposition. Membranes 10:1, pages 11.
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A A Valeev & E V Morozova. (2019) Simple universal Kelvin equation valid in critical point vicinity, external-internal state correction, and their application in understanding of normal pentane capillary evaporation and condensation in mesoporous silica MCM-41. Journal of Physics: Conference Series 1384:1, pages 012064.
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Yoshioka, Nakata, Tung, Kanezashi & Tsuru. (2019) Molecular Dynamics Simulation Study of Solid Vibration Permeation in Microporous Amorphous Silica Network Voids. Membranes 9:10, pages 132.
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Guozhao Ji, Anthe George, Vicky Skoulou, Graham Reed, Marcos Millan, Kamel Hooman, Suresh K. Bhatia & João C. Diniz da Costa. (2018) Investigation and simulation of the transport of gas containing mercury in microporous silica membranes. Chemical Engineering Science 190, pages 286-296.
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A. V. Klinov, I. P. Anashkin & R. R. Akberov. (2018) Molecular Dynamics Simulation of Pervaporation of an Ethanol–Water Mixture on a Hybrid Silicon Oxide Membrane. High Temperature 56:1, pages 70-76.
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Shuaiwei Gu, Beibei Gao, Lin Teng, Yuxing Li, Chunyan Fan, Stefan Iglauer, Datong Zhang & Xiao Ye. (2017) Monte Carlo Simulation of Supercritical Carbon Dioxide Adsorption in Carbon Slit Pores. Energy & Fuels 31:9, pages 9717-9724.
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Jinming Chang, Xiaoyu Guan, Yi Chen & Haojun Fan. (2016) Interfacial regions in spherical nanoparticle-doped glassy polymers: interfaces or interphases?. Polymer Chemistry 7:20, pages 3398-3405.
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Hiroki Nagasawa, Takuya Niimi, Masakoto Kanezashi, Tomohisa Yoshioka & Toshinori Tsuru. (2014) Modified gas-translation model for prediction of gas permeation through microporous organosilica membranes. AIChE Journal 60:12, pages 4199-4210.
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Tomohisa Yoshioka, Masakoto Kanezashi & Toshinori Tsuru. (2012) Micropore size estimation on gas separation membranes: A study in experimental and molecular dynamics. AIChE Journal 59:6, pages 2179-2194.
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Tomohisa Yoshioka, Hiroki Nagasawa, Masakoto Kanezashi & Toshinori Tsuru. (2013) Micropore Filling Phase Permeation of a Condensable Vapor in Silica Membranes: A Molecular Dynamics Study. JOURNAL OF CHEMICAL ENGINEERING OF JAPAN 46:10, pages 659-671.
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C.U. Santiago-Cort?s, L.M. Mej?a-Mendoza, R.M. Valladares, A. Valladares & Ariel A. Valladares. (2012) Computational alternatives to generate amorphous nanoporous structures using ab initio molecular dynamics. Journal of Non-Crystalline Solids 358:3, pages 596-603.
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Zhenxing Wang, Luke E.K. Achenie, Sheima Jativ Khativ & S. Ted Oyama. (2012) Simulation study of single-gas permeation of carbon dioxide and methane in hybrid inorganic–organic membrane. Journal of Membrane Science 387-388, pages 30-39.
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Kai-Shiun Chang, Tomohisa Yoshioka, Masakoto Kanezashi, Toshinori Tsuru & Kuo-Lun Tung. (2011) Molecular simulation of micro-structures and gas diffusion behavior of organic–inorganic hybrid amorphous silica membranes. Journal of Membrane Science 381:1-2, pages 90-101.
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Akihiro Nakata, Tomohisa Yoshioka, Masakoto Kanezashi & Toshinori Tsuru. (2010) Molecular Dynamics Simulation Study of Bimodal Porous Structure and Gas Permeation Properties of Microporous Silica Membranes. KAGAKU KOGAKU RONBUNSHU 36:3, pages 174-180.
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Kai-Shiun Chang, Tomohisa Yoshioka, Masakoto Kanezashi, Toshinori Tsuru & Kuo-Lun Tung. (2010) A molecular dynamics simulation of a homogeneous organic–inorganic hybrid silica membrane. Chemical Communications 46:48, pages 9140.
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Ryo Nagumo, Hiromitsu Takaba & Shin-ichi Nakao. (2009) Application of Free Energy Calculations at an Ultrahigh Temperature for Estimation of Molecular Diffusivities and Permeabilities in Zeolite Nanopores at an Ambient Temperature. The Journal of Physical Chemistry B 113:40, pages 13313-13321.
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Tomohisa Yoshioka, Akinori Yasumoto, Kouhei Kishi & Toshinori Tsuru. (2008) MD simulation studies for effect of membrane structures and dynamics on gas permeation properties through microporous amorphous silica membranes. Desalination 233:1-3, pages 333-341.
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Xiaoning Yang & Xiaopeng Yue. (2007) Adsorption and structure of Lennard–Jones model fluid in slit-like amorphous silica nanopores. Colloids and Surfaces A: Physicochemical and Engineering Aspects 301:1-3, pages 166-173.
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P. Uchytil, R. Petrickovic & A. Seidel-Morgenstern. (2007) Transport of butane in a porous Vycor glass membrane in the region of condensation pressure. Journal of Membrane Science 293:1-2, pages 15-21.
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Tomohisa Yoshioka, Toshinori Tsuru & Masashi Asaeda. (2006) Transport Properties of Condensable and Non-condensable Gas Mixtures through Microporous Silica Membranes Studied with Molecular Dynamics Simulation化学工学における計算機化学の応用  分子動力学シミュレーションを用いた多孔性シリカ膜における凝縮性/非凝縮性混合気体透過特性の検討. KAGAKU KOGAKU RONBUNSHU 32:1, pages 11-17.
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