Evaluation of CH4 and CO2 adsorption on HKUST-1 and MIL-101(Cr) MOFs employing Monte Carlo simulation and comparison with experimental data
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- 作者：How Wei Benjamin Teo ; Anutosh Chakraborty ; AChakraborty@ntu.edu.sg" class="auth_mail" title="E-mail the corresponding author ; Sibnath Kayal
- 关键词：Adsorption ; Isotherms ; Isosteric heat of adsorption ; GCMC simulation ; MOFs
- 刊名：Applied Thermal Engineering
- 出版年：2017
- 出版时间：5 January 2017
- 年：2017
- 卷：110
- 期：Complete
- 页码：891-900
- 全文大小：5301 K
文摘
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Measurements of CH4 and CO2 adsorption isotherms experimentally for a wide ranges of temperatures.
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Simulation study of CH4 and CO2 uptakes on MOFs by GCMC.
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Locations of CH4 and CO2 adsorption sites in MOF structure at various temperatures and pressures.
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Simulation snap shots for understanding the thermal behavior of CH4 and CO2 molecules at various pressures.
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Isosteric heat of adsorption by Clausius Clapeyron equation.