Browsing NTNU Open by Author "Qi, Zhiwen"
Now showing items 1-10 of 10
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Capturing CO2 by ionic liquids and deep eutectic solvents: A comparative study based on multi-level absorbent screening
Cheng, Jie; Xie, Kunchi; Guo, Pengyu; Qin, Hao; Deng, Liyuan; Qi, Zhiwen; Song, Zhen (Peer reviewed; Journal article, 2023)Because of the high energy consumption and volatility of organic amine solvents in conventional CO2 capture processes, ionic liquids (ILs) and deep eutectic solvents (DESs) have been widely expected as alternative CO2 ... -
Carbon Dioxide Solubility in Phosphonium-Based Deep Eutectic Solvents: An Experimental and Molecular Dynamics Study
Wang, Jingwen; Cheng, Hongye; Song, Zhen; Chen, Lifang; Deng, Liyuan; Qi, Zhiwen (Peer reviewed; Journal article, 2019)Considering the great potential of deep eutectic solvents (DESs) for CO2 capture, this work studies the CO2 solubility in DESs by combining experimental measurement and molecular dynamics (MD) simulation. First, four ... -
CO<inf>2</inf> capture by 1-ethyl-3-methylimidazolium acetate: Solubility at low pressure and quantification of chemisorption and physisorption
Mei, Mingcan; Hu, Xutao; Song, Zhen; Chen, Lifang; Deng, Liyuan; Qi, Zhiwen (Peer reviewed; Journal article, 2021)Although chemisorptive ionic liquids (ILs) are widely expected as promising CO2 absorbents, rigorous thermodynamic analyses for such systems remain challenging due to the inevitable co-existence of chemisorption and ... -
Computer-Aided Design of Ionic Liquids as Absorbent for Gas Separation Exemplified by CO2 Capture Cases
Wang, Jingwen; Song, Zhen; Cheng, Hongye; Chen, Lifang; Deng, Liyuan; Qi, Zhiwen (Journal article; Peer reviewed, 2018)In order to design ionic liquids as absorbents for gas separation, a systematic computer-aided ionic liquid design (CAILD) methodology is applied and demonstrated by three cases of CO2 capture. Mixed-integer nonlinear ... -
Decoding atomic-level structures of the interface between Pt sub-nanocrystals and nanostructured carbon
Cheng, Hongye; Kvande, Ingvar; Zhu, Yi-An; Hammer, Nina; Rønning, Magnus; Walmsley, John; Li, Ping; Qi, Zhiwen; Zhou, Xing-Gui; Chen, De (Journal article; Peer reviewed, 2018)Gaining an insight into the interface structure resulting from the interaction between metal nanoparticles and their supports, particularly under relevant reaction conditions, has been an important topic in heterogeneous ... -
Evolution of Carbon Nanofiber-Supported Pt Nanoparticles of Different Particle Sizes: A Molecular Dynamics Study
Cheng, Hong-ye; Zhu, Yi-An; Chen, De; Åstrand, Per-Olof; Li, Ping; Qi, Zhiwen; Zhou, Xing-Gui (Journal article, 2014)Molecular dynamics simulations employing the ReaxFF reactive force field have been carried out to analyze the structural evolution of fishbone-type carbon nanofiber-supported Pt nanoparticles, with particle size ranging ... -
Experimental and theoretical study on efficient CO2 absorption coordinated by molecules and ions of DBN and 1,2,4-triazole formed deep eutectic solvents
Ruan, Jiawei; Ye, Xiangzhu; Wang, Ruizhuan; Chen, Lifang; Deng, Liyuan; Qi, Zhiwen (Peer reviewed; Journal article, 2023)Deep eutectic solvents (DESs) as a new class of designer solvents have attracted intensive attention in CO2 capture, while the interactions between CO2 and underlying molecules and/or ions in DESs are poorly understood. ... -
Multilevel Screening of Ionic Liquid Absorbents for Simultaneous Removal of CO2 and H2S from Natural Gas
Wang, Jingwen; Song, Zhen; Cheng, Hongye; Chen, Lifang; Deng, Liyuan; Qi, Zhiwen (Peer reviewed; Journal article, 2020)For the selection of practically attractive ionic liquids (ILs) as absorbents for simultaneous CO2 and H2S removal from natural gas (NG), a multilevel screening method combining Henry′s law constant (H) and vapor–liquid ... -
Physical absorption of carbon dioxide in imidazole-PTSA based deep eutectic solvents
Qin, Hao; Song, Zhen; Cheng, Hongye; Deng, Liyuan; Qi, Zhiwen (Peer reviewed; Journal article, 2021) -
Prediction of CO2 solubility in deep eutectic solvents using random forest model based on COSMO-RS-derived descriptors
Wang, Jingwen; Song, Zhen; Chen, Lifang; Xu, Tao; Deng, Liyuan; Qi, Zhiwen (Journal article; Peer reviewed, 2021)