DataVXACS Applied Materials & InterfacesPaper
journal article·2021-01-27

The Determination of Pore Shape and Interfacial Barrier of Entry for Light Gases Transport in Amorphous TEOS-Derived Silica: A Finite Element Method

Xuechao Gao, Zhi Li, Cheng Chen, Chao Da, Lang Liu, Sen Tian, Guozhao Ji

ACS Applied Materials & Interfaces· Volume 13· Issue 3
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Source abstract

Abstract

The interfacial barrier of entry for light gas transport in a nanopore was a crucial factor to determine the separation efficiency in membrane technologies. To examine this effect, amorphous silica was prepared by sol-gel process, and its characterization results revealed that the commonly used cylindrical pore shape failed to represent the adsorption behavior of gases, but instead the pore shape had to be represented by a slit pore model. A finite element method (FEM) was developed to analyze the interfacial resistance by integrating a Lennard-Jones (LJ) potential over the layer area. It was found that the strong repulsion/attraction at the pore interface could be paired with the motion energy of guest molecules to predict the ideal selectivity between gases, thereby providing a solution to preliminarily screen the separation performance among a host of membrane candidates.
Source: openalex_inverted_index · Quality: baseline

Research context

Nanomaterials

OpenAlex topics: Membrane Separation and Gas Transport · Membrane Separation Technologies · Covalent Organic Framework Applications

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

State Key Laboratory of Materials-Oriented Chemical Engineering, College of Chemical Engineering, Nanjing Tech University, 30 Puzhu Road (S), Nanjing 210009, China

Key Laboratory of Low-Grade Energy Utilization Technologies and Systems, Ministry of Education, School of Energy and Power Engineering, Chongqing University, Chongqing 400044, China

State Key Laboratory of Coal Mine Disaster Dynamics and Control, School of Resources and Environmental Science, Chongqing University, Chongqing 400044, China

School of Environmental Science and Technology, Dalian University of Technology, Dalian 116024, China

Funding

Ministry of Education of the People's Republic of China · National Natural Science Foundation of China

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