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DOI10.1155/2019/9594816
CO2 and SO2 Pressure-Driven Adsorption by 3D Graphene Nanoslits: A Molecular Dynamics Study
Borges, Amanda Caroline1; Kohler, Mateus H.2; Bordin, Jose Rafael1,3
发表日期2019
ISSN1687-4110
EISSN1687-4129
英文摘要

Nonequilibrium molecular dynamics simulations are employed to study the adsorption and blockage properties of a 3D graphene membrane. Specifically, we are interested in the mixtures of carbon dioxide (CO2) and sulfur dioxide (SO2), two of the most relevant pollutant gases for the anthropogenic effect in global warming. We simulate cases with distinct proportion of gases in the mixture. Our results indicate that the 3D graphene slit is able to absorb 90% or more of the gas molecules. We show that this property came from the fact that both CO2 and SO2 molecules are attracted by the graphene pore, which compensates for the entropic barrier that exists when leaving the bulk state to the confined state. Also, the simulation results show that changing the interlayer separation between the graphene sheets is possible in order to change the membrane properties, from absorbent to blockage. These results help to understand the properties of 3D graphene nanoslits and their application as highly selective filters.


WOS研究方向Science & Technology - Other Topics ; Materials Science
来源期刊JOURNAL OF NANOMATERIALS
文献类型期刊论文
条目标识符http://gcip.llas.ac.cn/handle/2XKMVOVA/91786
作者单位1.Univ Fed Pampa, Campus Cacapava Sul, BR-96570000 Cacapava Do Sul, Brazil;
2.Univ Fed Santa Maria, Dept Fis, BR-97105900 Santa Maria, RS, Brazil;
3.Univ Fed Pelotas, Inst Fis & Matemat, Dept Fis, POB 354, BR-96001970 Pelotas, Brazil
推荐引用方式
GB/T 7714
Borges, Amanda Caroline,Kohler, Mateus H.,Bordin, Jose Rafael. CO2 and SO2 Pressure-Driven Adsorption by 3D Graphene Nanoslits: A Molecular Dynamics Study[J],2019.
APA Borges, Amanda Caroline,Kohler, Mateus H.,&Bordin, Jose Rafael.(2019).CO2 and SO2 Pressure-Driven Adsorption by 3D Graphene Nanoslits: A Molecular Dynamics Study.JOURNAL OF NANOMATERIALS.
MLA Borges, Amanda Caroline,et al."CO2 and SO2 Pressure-Driven Adsorption by 3D Graphene Nanoslits: A Molecular Dynamics Study".JOURNAL OF NANOMATERIALS (2019).
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