A molecular level-based parametric study on the capture of hydrogen sulfide and carbon oxides from flue gas mixtures using Au nanopores

IF 1.9 4区 化学 Q4 CHEMISTRY, PHYSICAL
Jenn-Kun Kuo, Pei-Hsing Huang, Chien-Hui Lee, Chao-Cheng Cheng
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引用次数: 0

Abstract

Identifying a means of effectively separating and adsorbing the harmful constituents from flue gas emissions is always crucial for the protection of human health and the environment. All-atom molec...
利用金纳米孔从烟气混合物中捕获硫化氢和碳氧化物的分子水平参数研究
找到有效分离和吸附烟气排放中有害成分的方法,对于保护人类健康和环境始终至关重要。全原子分子吸附技术是一种新型的吸附技术。
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来源期刊
Molecular Simulation
Molecular Simulation 化学-物理:原子、分子和化学物理
CiteScore
3.80
自引率
9.50%
发文量
128
审稿时长
3.1 months
期刊介绍: Molecular Simulation covers all aspects of research related to, or of importance to, molecular modelling and simulation. Molecular Simulation brings together the most significant papers concerned with applications of simulation methods, and original contributions to the development of simulation methodology from biology, biochemistry, chemistry, engineering, materials science, medicine and physics. The aim is to provide a forum in which cross fertilization between application areas, methodologies, disciplines, as well as academic and industrial researchers can take place and new developments can be encouraged. Molecular Simulation is of interest to all researchers using or developing simulation methods based on statistical mechanics/quantum mechanics. This includes molecular dynamics (MD, AIMD), Monte Carlo, ab initio methods related to simulation, multiscale and coarse graining methods.
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