Exploring the methods on improving CH4 delivery performance to surpass the Advanced Research Project Ageney-Energy target

doi:10.1016/j.cjche.2020.10.035

Chinese Journal of Chemical Engineering ›› 2021, Vol. 33 ›› Issue (5): 118-124.DOI: 10.1016/j.cjche.2020.10.035

• Separation Science and Engineering • Previous Articles Next Articles

Exploring the methods on improving CH₄ delivery performance to surpass the Advanced Research Project Ageney-Energy target

Weichen Zhu¹, Yuxuan He¹, Minman Tong¹, Xiaoyong Lai², Shijia Liang¹, Xu Wang¹, Yanjuan Li¹, Xiao Yan¹

1 School of Chemistry and Materials Science, Jiangsu Normal University, Xuzhou 221116, China;
2 State Key Laboratory of High-efficiency Utilization of Coal and Green Chemical Engineering, College of Chemistry and Chemical Engineering, Ningxia University, Yinchuan 750021,;
China

Received:2020-05-28 Revised:2020-09-30 Online:2021-08-19 Published:2021-05-28
Contact: Minman Tong, Xiao Yan
Supported by:
This work was supported by the Natural Science Foundation of China (21706106, 51702137), the Foundation of State Key Laboratory of High-Efficiency Utilization of Coal and Green Chemical Engineering (2020-KF-20), the Postgraduate Research & Practice Innovation Program of Jiangsu Province (KYCX20_2236).

Exploring the methods on improving CH₄ delivery performance to surpass the Advanced Research Project Ageney-Energy target

Weichen Zhu¹, Yuxuan He¹, Minman Tong¹, Xiaoyong Lai², Shijia Liang¹, Xu Wang¹, Yanjuan Li¹, Xiao Yan¹

1 School of Chemistry and Materials Science, Jiangsu Normal University, Xuzhou 221116, China;
2 State Key Laboratory of High-efficiency Utilization of Coal and Green Chemical Engineering, College of Chemistry and Chemical Engineering, Ningxia University, Yinchuan 750021,;
China

通讯作者: Minman Tong, Xiao Yan
基金资助:
This work was supported by the Natural Science Foundation of China (21706106, 51702137), the Foundation of State Key Laboratory of High-Efficiency Utilization of Coal and Green Chemical Engineering (2020-KF-20), the Postgraduate Research & Practice Innovation Program of Jiangsu Province (KYCX20_2236).

Abstract

Abstract: CH₄ storage associated with adsorbed natural gas (ANG) technology is an issue attracting great concern. Following the Advanced Research Project Agency-Energy (ARPA-E) targeted deliverable capacity of 315 cm³·cm^-3 (STP), hundreds of thousands of materials have been experimentally or theoretically evaluated, while the best results still show a 35% gap from the target. Moreover, recent theoretical research reveals that the target is beyond the possibility that real materials can be designed. To get rid of the awkward situation, we make attempts on investigating the CH₄ delivery performance under other operation conditions. Methods of raising the discharge temperature (to infinite high) or elevating the storage pressure (to 25 MPa) have been proved to show limited effectiveness. In this work, it is found that the ARPA-E target can be achieved by using a decreasing storage temperature strategy. By taking 280 CoRE (computation-ready, experimental) COFs (covalent organic frameworks) as ANG materials, when reduce the storage temperature to 190.6 K, the highest deliverable capacity can reach 392 cm³·cm^-3 (STP), and 16.1% CoRE COFs can surpass the target. The target is also achievable when storage at 220 K. Structure performance relationships study shows strong correlation between deliverable capacity and void fraction. Hence, 120 hypothetical COFs are generated to ascertain the optimum void fraction. In addition, the performance of 2D-COFs can be greatly enhanced by increasing the interlayer spacings, e.g. CH₄ deliverable capacity (storage at 190.6 K) of ATFG-COF can be improved from 239 to 411 cm³·cm^-3 (STP) when interlayer spacing is enlarged to 1.65 nm.

Key words: Covalent organic frameworks, CH₄ delivery, Adsorbed natural gas, Molecular simulation, Structure-property relationship, Material design

摘要： CH₄ storage associated with adsorbed natural gas (ANG) technology is an issue attracting great concern. Following the Advanced Research Project Agency-Energy (ARPA-E) targeted deliverable capacity of 315 cm³·cm^-3 (STP), hundreds of thousands of materials have been experimentally or theoretically evaluated, while the best results still show a 35% gap from the target. Moreover, recent theoretical research reveals that the target is beyond the possibility that real materials can be designed. To get rid of the awkward situation, we make attempts on investigating the CH₄ delivery performance under other operation conditions. Methods of raising the discharge temperature (to infinite high) or elevating the storage pressure (to 25 MPa) have been proved to show limited effectiveness. In this work, it is found that the ARPA-E target can be achieved by using a decreasing storage temperature strategy. By taking 280 CoRE (computation-ready, experimental) COFs (covalent organic frameworks) as ANG materials, when reduce the storage temperature to 190.6 K, the highest deliverable capacity can reach 392 cm³·cm^-3 (STP), and 16.1% CoRE COFs can surpass the target. The target is also achievable when storage at 220 K. Structure performance relationships study shows strong correlation between deliverable capacity and void fraction. Hence, 120 hypothetical COFs are generated to ascertain the optimum void fraction. In addition, the performance of 2D-COFs can be greatly enhanced by increasing the interlayer spacings, e.g. CH₄ deliverable capacity (storage at 190.6 K) of ATFG-COF can be improved from 239 to 411 cm³·cm^-3 (STP) when interlayer spacing is enlarged to 1.65 nm.

关键词: Covalent organic frameworks, CH₄ delivery, Adsorbed natural gas, Molecular simulation, Structure-property relationship, Material design

Weichen Zhu, Yuxuan He, Minman Tong, Xiaoyong Lai, Shijia Liang, Xu Wang, Yanjuan Li, Xiao Yan. Exploring the methods on improving CH₄ delivery performance to surpass the Advanced Research Project Ageney-Energy target[J]. Chinese Journal of Chemical Engineering, 2021, 33(5): 118-124.

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Exploring the methods on improving CH₄ delivery performance to surpass the Advanced Research Project Ageney-Energy target

Exploring the methods on improving CH₄ delivery performance to surpass the Advanced Research Project Ageney-Energy target

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