Mechanical properties and cage transformations in CO2-CH4 heterohydrates: a molecular dynamics and machine learning study
Yu Zhang,
Xintong Liu,
Qiao Shi
et al.
Abstract:The substitution of natural gas hydrates with CO2 offers a compelling dual advantage by enabling the extracting of CH4 while simultaneously sequestering CO2. This process, however, is intricately tied to the mechanical stability of CO2-CH4 heterohydrates. In this study, we report the mechanical properties and cage transformations in CO2-CH4 heterohydrates subjected to uniaxial straining via molecular dynamics (MD) simulations and machine learning (ML). Results indicate that guest molecule occupancy, the ratio … Show more
Set email alert for when this publication receives citations?
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.