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Molecular Simulation Volume 37, 2011 - Issue 13
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Original Articles

Molecular simulation of swelling and structure for Na-Wyoming montmorillonite in supercritical CO2

Nannan Yang State Key Laboratory of Materials-Oriented Chemical Engineering, College of Chemistry and Chemical Engineering, Nanjing University of Technology, Nanjing, 210009, P.R. China
&
Xiaoning Yang State Key Laboratory of Materials-Oriented Chemical Engineering, College of Chemistry and Chemical Engineering, Nanjing University of Technology, Nanjing, 210009, P.R. ChinaCorrespondence[email protected]
Pages 1063-1070 | Received 17 Oct 2010, Accepted 09 Dec 2010, Published online: 05 Jul 2011

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Paul D. Siders. (2016) Conformational free energy of alkylsilanes by nonequilibrium-pulling Monte Carlo simulation. Molecular Simulation 42:9, pages 693-701.
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R. Shahriyari, A. Khosravi & A. Ahmadzadeh. (2013) Nanoscale simulation of Na-Montmorillonite hydrate under basin conditions, application of CLAYFF force field in parallel GCMC. Molecular Physics 111:20, pages 3156-3167.
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Santanu Ghosh, Tushar Adsul & Atul Kumar Varma. 2023. Green Sustainable Process for Chemical and Environmental Engineering and Science. Green Sustainable Process for Chemical and Environmental Engineering and Science 561 594 .
Zhen Feng, Jianping Xu, Zongxiao Ren & Rui Ma. (2021) Application of Molecular Simulation Technology in Improving Oil Recovery. IOP Conference Series: Earth and Environmental Science 770:1, pages 012013.
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Qiu, Liu, Jiang, Chen, Wang, Li, Yao, Wu, Zhu, Wang & Lyu. (2020) Effect of Crystal Chemistry Properties on the Distribution Characteristics of H2O and Na+ in Na-Montmorillonite Interlayer Space: Molecular Dynamics Simulation Study. Minerals 10:2, pages 162.
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Jian Liu, Hui Xie, Qin Wang, Shiyong Chen & Zhiming Hu. (2019) The Effect of Pore Size on Shale Gas Recovery with CO 2 Sequestration: Insight into Molecular Mechanisms . Energy & Fuels 33:4, pages 2897-2907.
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Qing Wang & Liang Huang. (2019) Molecular insight into competitive adsorption of methane and carbon dioxide in montmorillonite: Effect of clay structure and water content. Fuel 239, pages 32-43.
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Mal-Soon Lee, B. Peter McGrail, Roger Rousseau & Vassiliki-Alexandra Glezakou. (2017) Molecular Level Investigation of CH 4 and CO 2 Adsorption in Hydrated Calcium–Montmorillonite . The Journal of Physical Chemistry C 122:2, pages 1125-1134.
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Evgeniy M. Myshakin & Randall T. Cygan. 2018. Greenhouse Gases and Clay Minerals. Greenhouse Gases and Clay Minerals 147 174 .
William Taifan, Jean-François Boily & Jonas Baltrusaitis. (2016) Surface chemistry of carbon dioxide revisited. Surface Science Reports 71:4, pages 595-671.
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Qing-Qing Hao, Yong-Hong Song, Bingsen Zhang, Huan-Huan Yang, Jian-Gang Chen, Yong-Hua Zhao, Zhao-Tie Liu, Yun Hang Hu, Zhong-Wen Liu, Wei Wang, Dang Sheng Su & Jian Lu. (2016) One-step green approach for synthesizing highly ordered pillaring materials via ultrafast transportation. Applied Clay Science 124-125, pages 137-142.
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Nannan Yang, Shuyan Liu & Xiaoning Yang. (2015) Molecular simulation of preferential adsorption of CO 2 over CH 4 in Na-montmorillonite clay material. Applied Surface Science 356, pages 1262-1271.
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L. Michels, J. O. Fossum, Z. Rozynek, H. Hemmen, K. Rustenberg, P. A. Sobas, G. N. Kalantzopoulos, K. D. Knudsen, M. Janek, T. S. Plivelic & G. J. da Silva. (2015) Intercalation and Retention of Carbon Dioxide in a Smectite Clay promoted by Interlayer Cations. Scientific Reports 5:1.
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KeFeng Yan, XiaoSen Li, ChunGang Xu, QiuNan Lv & XuKe Ruan. (2014) Molecular dynamics simulation of the intercalation behaviors of methane hydrate in montmorillonite. Journal of Molecular Modeling 20:6.
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Xiuyu Wang, Vladimir Alvarado, Norbert Swoboda-Colberg & John P. Kaszuba. (2013) Reactivity of dolomite in water-saturated supercritical carbon dioxide: Significance for carbon capture and storage and for enhanced oil and gas recovery. Energy Conversion and Management 65, pages 564-573.
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Yandi Hu & Young-Shin Jun. (2012) Biotite Dissolution in Brine at Varied Temperatures and CO 2 Pressures: Its Activation Energy and Potential CO 2 Intercalation . Langmuir 28:41, pages 14633-14641.
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John S. Loring, Herbert T. Schaef, Romulus V. F. Turcu, Christopher J. Thompson, Quin R. S. Miller, Paul F. Martin, Jianzhi Hu, David W. Hoyt, Odeta Qafoku, Eugene S. Ilton, Andrew R. Felmy & Kevin M. Rosso. (2012) In Situ Molecular Spectroscopic Evidence for CO 2 Intercalation into Montmorillonite in Supercritical Carbon Dioxide . Langmuir 28:18, pages 7125-7128.
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