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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 106, 2008 - Issue 5
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Research Article

The effects of curvature and surface heterogeneity on the adsorption of water in finite length carbon nanopores: a computer simulation study

A. Wongkoblap Department of Chemical Engineering, University of Queensland, St Lucia, Queensland 4072, Australia
&
D.D. Do Department of Chemical Engineering, University of Queensland, St Lucia, Queensland 4072, AustraliaCorrespondence[email protected]
Pages 627-641 | Received 21 Nov 2007, Accepted 30 Dec 2007, Published online: 17 Jun 2009

Citations (17)

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Sashanka Sekhar Mandal & Sandip Khan. (2023) Vapor-Liquid phase transition of associating fluids in a functionalized cylindrical pore: a Monte Carlo study. Molecular Physics 121:13.
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Articles from other publishers (16)

Toshihide Horikawa, Ryuto Yuasa, Ken Yoshida & D.D. Do. (2021) Temperature dependence of water cluster on functionalized graphite. Carbon 183, pages 380-389.
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Xuan Peng, Jose Manuel Vicent-Luna, Surendra Kumar Jain, Qibing Jin & Jayant Kumar Singh. (2019) Computational Study of the Effect of Functional Groups on Water Adsorption in Mesoporous Carbons: Implications for Gas Adsorption. ACS Applied Nano Materials 2:11, pages 7103-7113.
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Zhihao Shang, Liang Dong, Lisha Niu & Huiji Shi. (2019) Adsorption of Methane, Nitrogen, and Carbon Dioxide in Atomic-Scale Fractal Nanopores by Monte Carlo Simulation I: Single-Component Adsorption. Energy & Fuels 33:11, pages 10457-10475.
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Christoph Buttersack. (2019) Modeling of type IV and V sigmoidal adsorption isotherms. Physical Chemistry Chemical Physics 21:10, pages 5614-5626.
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Xuan Peng, Surendra Kumar Jain, Jayant Kumar Singh, Anqi Liu & Qibing Jin. (2018) Formation patterns of water clusters in CMK-3 and CMK-5 mesoporous carbons: a computational recognition study. Physical Chemistry Chemical Physics 20:25, pages 17093-17104.
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Toshihide Horikawa, Shiliang (Johnathan) Tan, D.D. Do, Ken-Ichiro Sotowa, J. Rafael Alcántara-Avila & D. Nicholson. (2017) Temperature dependence of water adsorption on highly graphitized carbon black and highly ordered mesoporous carbon. Carbon 124, pages 271-280.
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Yonghong Zeng, D. D. Do & D. Nicholson. (2015) Existence of Ultrafine Crevices and Functional Groups along the Edge Surfaces of Graphitized Thermal Carbon Black. Langmuir 31:14, pages 4196-4204.
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Toshihide Horikawa, Noriyuki Sakao & D.D. Do. (2013) Effects of temperature on water adsorption on controlled microporous and mesoporous carbonaceous solids. Carbon 56, pages 183-192.
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A. Wongkoblap, D.D. Do, G. Birkett & D. Nicholson. (2011) A critical assessment of capillary condensation and evaporation equations: A computer simulation study. Journal of Colloid and Interface Science 356:2, pages 672-680.
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Toshihide Horikawa, Tomoki Sekida, Jun’ichi Hayashi, Masahiro Katoh & Duong D. Do. (2011) A new adsorption–desorption model for water adsorption in porous carbons. Carbon 49:2, pages 416-424.
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M. C. Gordillo & J. Martí. (2010) Effect of Surface Roughness on the Static and Dynamic Properties of Water Adsorbed on Graphene. The Journal of Physical Chemistry B 114:13, pages 4583-4589.
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J. Martí, J. Sala & E. Guàrdia. (2010) Molecular dynamics simulations of water confined in graphene nanochannels: From ambient to supercritical environments. Journal of Molecular Liquids 153:1, pages 72-78.
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Shaheen A. Al-Muhtaseb. (2009) Adsorption and Desorption Equilibria of Nitrogen, Methane, Ethane, and Ethylene on Date-Pit Activated Carbon. Journal of Chemical & Engineering Data 55:1, pages 313-319.
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D.D. Do, S. Junpirom & H.D. Do. (2009) A new adsorption–desorption model for water adsorption in activated carbon. Carbon 47:6, pages 1466-1473.
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J. Martí, J. Sala, E. Guàrdia & M. C. Gordillo. (2009) Molecular dynamics simulations of supercritical water confined within a carbon-slit pore. Physical Review E 79:3.
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A. Wongkoblap, D.D. Do & K. Wang. (2009) Adsorption of polar and non-polar fluids in carbon nanotube bundles: Computer simulation and experimental studies. Journal of Colloid and Interface Science 331:1, pages 65-76.
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