Divide-and-Conquer Density-Functional Tight-Binding Molecular Dynamics Study on the Formation of Carbamate Ions during CO2 Chemical Absorption in Aqueous Amine Solution (vol 90, pg 1230, 2017)

Sakti Aditya Wibawa; Nishimura Yoshifumi; Sato Hiroshi; Nakai Hiromi

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Divide-and-Conquer Density-Functional Tight-Binding Molecular Dynamics Study on the Formation of Carbamate Ions during CO2 Chemical Absorption in Aqueous Amine Solution (vol 90, pg 1230, 2017)

机译：分裂和征服密度功能紧密的分子动力学研究 - 胺溶液CO2化学吸收期间氨基甲酸盐离子的形成（Vol 90，PG 1230,2017）

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《Bulletin of the Chemical Society of Japan》 |2018年第2期|共1页
作者
Sakti Aditya Wibawa; Nishimura Yoshifumi; Sato Hiroshi; Nakai Hiromi;
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作者单位

Waseda Univ Dept Chem &

Biochem Sch Adv Sci &

Engn Shinjuku Ku Tokyo 1698555 Japan;

Waseda Univ Res Inst Sci &

Engn Shinjuku Ku Tokyo 1698555 Japan;

IHI Corp Res Lab Yokohama Kanagawa 2358501 Japan;

Waseda Univ Dept Chem &

Biochem Sch Adv Sci &

Engn Shinjuku Ku Tokyo 1698555 Japan;

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正文语种 eng
中图分类化学;
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1. Divide-and-Conquer Density-Functional Tight-Binding Molecular Dynamics Study on the Formation of Carbamate Ions during CO2 Chemical Absorption in Aqueous Amine Solution (vol 90, pg 1230, 2017) [J] . Sakti Aditya Wibawa, Nishimura Yoshifumi, Sato Hiroshi, Bulletin of the Chemical Society of Japan . 2018,第2期

机译：分裂和征服密度功能紧密的分子动力学研究 - 胺溶液CO2化学吸收期间氨基甲酸盐离子的形成（Vol 90，PG 1230,2017）
2. Contrasting mechanisms for CO2 absorption and regeneration processes in aqueous amine solutions: Insights from density-functional tight-binding molecular dynamics simulations [J] . Nakai Hiromi, Nishimura Yoshifumi, Kaiho Takeaki, Chemical Physics Letters . 2016,第Null期

机译：胺水溶液中CO2吸收和再生过程的对比机制：密度功能紧密结合分子动力学模拟的见解
3. Contrasting mechanisms for CO2 absorption and regeneration processes in aqueous amine solutions: Insights from density-functional tight-binding molecular dynamics simulations [J] . Nakai Hiromi, Nishimura Yoshifumi, Kaiho Takeaki, Chemical Physics Letters . 2016,第Null期

机译：胺水溶液中CO2吸收和再生过程的对比机制：密度功能紧密结合分子动力学模拟的见解
4. Parametric Investigation of Chemical Equilibrium in Mixed Aqueous Amine Systems for CO2 Capture Processes: Impact of Amine Protonation and Reaction Enthalpies on CO2 Absorption Capacity, Cyclic Capacity, and Absorption Enthalpies [C] . William Conway, Yaser Beyad, Sarah Clifford International Conference on Greenhouse Gas Control Technologies . 2015

机译：CO2捕获过程中混合胺系统化学平衡的参数调查：胺质量和反应焓对二氧化碳吸收能力，环状容量和吸收焓的影响
5. Absorption rates of carbon dioxide in aqueous and non-aqueous amine solutions and solubility of carbon dioxide in aqueous piperazine solution [D] . Kadiwala, Salim 2008

机译：二氧化碳在胺水溶液和非胺水溶液中的吸收速率以及二氧化碳在哌嗪水溶液中的溶解度
6. Lagrangian formulation with dissipation of Born-Oppenheimer molecular dynamics using the density-functional tight-binding method [O] . Guishan Zheng, Anders M. N. Niklasson, Martin Karplus -1

机译：使用密度泛函紧密结合方法耗散Born-Oppenheimer分子动力学的拉格朗日公式
7. Parametric Investigation of Chemical Equilibrium in Mixed Aqueous Amine Systems for CO2 Capture Processes: Impact of Amine Protonation and Reaction Enthalpies on CO2 Absorption Capacity, Cyclic Capacity, and Absorption Enthalpies [O] . Conway William, Beyad Yaser, Clifford Sarah, 2014

机译：用于CO2捕集过程的混合水胺系统中化学平衡的参数研究：胺的质子化和反应焓对CO2吸收能力，循环能力和吸收焓的影响
8. Thermodynamic Studies of the Effects of Solvents on Molecular Complex Formation Equilibria;Orientation of Water Around Nonpolar in Solutes Aqueous Solutions. [R] . yeo, kwang ok 1975

机译：溶剂对分子配合物形成平衡影响的热力学研究;溶质水溶液中非极性水的取向。

Divide-and-Conquer Density-Functional Tight-Binding Molecular Dynamics Study on the Formation of Carbamate Ions during CO2 Chemical Absorption in Aqueous Amine Solution (vol 90, pg 1230, 2017)

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