2020 Vol. 5, No. 3

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Editorial
In celebration of the 80th birthday of Professor Wenchuan Wang
Dapeng Cao, Jianzhong Wu, Daojian Cheng
2020, 5(3): 247-248. doi: 10.1016/j.gee.2020.08.003
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Research Highlight
Water-mediated phase-change composite electrolyte
Mingyang Liu, Buxing Han
2020, 5(3): 249-250. doi: 10.1016/j.gee.2020.07.003
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With the world's focus on wearable electronics, the scientific community has anticipated the plasticine-like processability of electrolytes and electrodes. A bioinspired composite of polymer and phase-changing salt with the similar bonding structure to that of natural bones is a suitable electrolyte...
Review article
Thermodynamics at microscales: 3D→2D, 1D and 0D
Kun Dong, Feng Huo, Suojiang Zhang
2020, 5(3): 251-258. doi: 10.1016/j.gee.2020.07.022
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Today, the laws of traditional thermodynamics are facing challenges when science is growing rapidly toward the microscale-world, even quantum hypothesis. In this work, the thermodynamics of nano-confinement and quantum thermodynamics are summarized to illustrate their developments at the microscales...
Research progress in rare earths and their composites based electrode materials for supercapacitors
Subasri Arunachalam, Balakrishnan Kirubasankar, Duo Pan, Hu Liu, Chao Yan, Zhanhu Guo, Subramania Angaiah
2020, 5(3): 259-273. doi: 10.1016/j.gee.2020.07.021
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Supercapacitor is an imminent potential energy storage system, and acts as a booster to the batteries and fuel cells to provide necessary power density. In the last decade, carbon and carbonaceous materials, conducting polymers and transition metal oxide/hydroxide based electrode materials have been...
Physicochemical properties and structure of fluid at nano-/micro-interface: Progress in simulation and experimental study
Qingwei Gao, Yumeng Zhang, Shuting Xu, Aatto Laaksonen, Yudan Zhu, Xiaoyan Ji, Xiaohua Lu
2020, 5(3): 274-285. doi: 10.1016/j.gee.2020.07.013
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In modern chemical engineering processes, the involvement of solid/fluid interface is the most important component of process intensification techniques, such as confined membrane separation and catalysis. In the review, we summarized the research progress of the latest theoretical and experimental ...
First-principles-aided thermodynamic modeling of transition-metal heterogeneous catalysts: A review
Haoxiang Xu, Daojian Cheng
2020, 5(3): 286-302. doi: 10.1016/j.gee.2020.07.006
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Over the past decade, the first-principles-aided thermodynamic models have become standard theoretical tools in research on structural stability and evolution of transition-metal heterogeneous catalysts under reaction environment. Advances in first-principles-aided thermodynamic models mean it is no...
Multiscale modeling of electrolytes in porous electrode: From equilibrium structure to non-equilibrium transport
Haolan Tao, Cheng Lian, Honglai Liu
2020, 5(3): 303-321. doi: 10.1016/j.gee.2020.06.020
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Understanding the mechanisms and properties of various transport processes in the electrolyte, porous electrode, and at the interface between electrode and electrolyte plays a crucial role in guiding the improvement of electrolytes, materials and microstructures of electrode. Nanoscale equilibrium p...
Research paper
A generalized formula for two-dimensional diffusion of CO in graphene nanoslits with different Pt loadings
Chenglong Qiu, Yinbin Wang, Yuejin Li, Xiang Sun, Guilin Zhuang, Zihao Yao, Shengwei Deng, Jianguo Wang
2020, 5(3): 322-332. doi: 10.1016/j.gee.2020.04.012
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Catalytic performance of supported metal catalysts not only depends on the reactivity of metal, but also the adsorption and diffusion properties of gas molecules which are usually affected by many factors, such as temperature, pressure, properties of metal clusters and substrates, etc. To explore th...
High-throughput computational screening of Cu-MOFs with open metal sites for efficient C2H2/C2H4 separation
Lei Liu, Lei Wang, Dahuan Liu, Qingyuan Yang, Chongli Zhong
2020, 5(3): 333-340. doi: 10.1016/j.gee.2020.03.002
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Cost effective separation of acetylene (C2H2) and ethylene (C2H4) is of key importance to obtain essential chemical raw materials for polymer industry. Due to the low compression limit of C2H2, there is an urgent demand to develop suitable materials for efficiently separating the two gases under amb...
Electron paramagnetic resonance studies of the chelate-based ionic liquid in different solvents
Songna Zhang, Xinyu Wang, Jia Yao, Haoran Li
2020, 5(3): 341-346. doi: 10.1016/j.gee.2020.06.018
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The electron paramagnetic resonance spectra of the chelate-based ionic liquid [C10mim][Cu(F6-acac)3] in different solvents have been obtained at 120K. It was found that the values of the63Cu hyperfine coupling constants (AIL) of [C10mim][Cu(F6-acac)3] in molecular solvents were from 116 to 180 Gauss...
A continuous and high-efficiency process to separate coal bed methane with porous ZIF-8 slurry: Experimental study and mathematical modelling
Wan Chen, Xiaonan Guo, Enbao Zou, Mengling Luo, Mengzijing Chen, Mingke Yang, Hai Li, Chongzhi Jia, Chun Deng, Changyu Sun, Bei Liu, Lanying Yang, Guangjin Chen
2020, 5(3): 347-363. doi: 10.1016/j.gee.2020.04.015
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Coal bed methane has been considered as an important energy resource. One major difficulty of purifying coal bed methane comes from the similar physical properties of CH4 and N2. The ZIF-8/water-glycol slurry was used as a medium to separate coal bed methane by fluidifying the solid adsorbent materi...
Role of substrate softness in stabilizing surface nanobubbles
Changsheng Chen, Xianren Zhang, Dapeng Cao
2020, 5(3): 374-380. doi: 10.1016/j.gee.2020.07.008
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The contact line pinning and supersaturation theory for the nanobubble stability has attracted extensive concerns from experimental investigators, and some experimenters argue that the contact line pinning is unnecessary. To interpret the experimental observations, we have proposed previously throug...
Research article
Computational screening and design of nanoporous membranes for efficient carbon isotope separation
Jingqi Wang, Musen Zhou, Diannan Lu, Weiyang Fei, Jianzhong Wu
2020, 5(3): 364-373. doi: 10.1016/j.gee.2020.07.025
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Stable isotopes have been routinely used in chemical sciences, medical treatment and agricultural research. Conventional technologies to produce high-purity isotopes entail lengthy separation processes that often suffer from low selectivity and poor energy efficiency. Recent advances in nanoporous m...

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