Theoretical Evaluation of Graphene Membrane Performance for Hydrogen Separation Using Molecular Dynamic Simulation
Abstract
:1. Introduction
2. MD Simulation Methodology
2.1. Preparation of Virtual Membrane Cell
2.2. Solution Procedure
3. Results and Discussions
3.1. Evaluation of Pore Angle Effects on NPG Membrane Performance
3.2. Evaluation of Pore Density Effects on NPG Membrane Performance
4. Conclusions
Author Contributions
Funding
Conflicts of Interest
References
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Nouri, M.; Ghasemzadeh, K.; Iulianelli, A. Theoretical Evaluation of Graphene Membrane Performance for Hydrogen Separation Using Molecular Dynamic Simulation. Membranes 2019, 9, 110. https://doi.org/10.3390/membranes9090110
Nouri M, Ghasemzadeh K, Iulianelli A. Theoretical Evaluation of Graphene Membrane Performance for Hydrogen Separation Using Molecular Dynamic Simulation. Membranes. 2019; 9(9):110. https://doi.org/10.3390/membranes9090110
Chicago/Turabian StyleNouri, Mahdi, Kamran Ghasemzadeh, and Adolfo Iulianelli. 2019. "Theoretical Evaluation of Graphene Membrane Performance for Hydrogen Separation Using Molecular Dynamic Simulation" Membranes 9, no. 9: 110. https://doi.org/10.3390/membranes9090110