Abstract
Liquefied natural gas (LNG) gasification coupled with adsorbed natural gas (ANG) charging (LNG–ANG coupling) is an emerging strategy for efficient delivery of natural gas. However, the potential of LNG–ANG to attain the advanced research projects agency‐energy (ARPA‐E) target for onboard methane storage has not been fully investigated. In this work, large‐scale computational screening is performed for 5446 metal–organic frameworks (MOFs), and over 193 MOFs whose methane working capacities exceed the target (315 cm3(STP) cm−3) are identified. Furthermore, structure–performance relationships are realized under the LNG–ANG condition using a machine learning method. Additional molecular dynamics simulations are conducted to investigate the effects of the structural changes during temperature and pressure swings, further narrowing down the materials, and two synthetic targets are identified. The synthesized DUT‐23(Cu) and DUT‐23(Co) show higher working capacities (≈373 cm3(STP) cm−3) than that of any other porous material under ANG or LNG–ANG conditions, and excellent stability during cyclic LNG–ANG operation.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.