Insights into the mechanical stability of tetrahydrofuran hydrates from experimental, machine learning, and molecular dynamics perspectives

Author:

Lin Yanwen12ORCID,Zhou Ziyue1ORCID,Song Zixuan1,Shi Qiao1,Hao Yongchao1,Fu Yuequn3,Li Tong24ORCID,Zhang Zhisen1ORCID,Wu Jianyang15ORCID

Affiliation:

1. Department of Physics, Research Institute for Biomimetics and Soft Matter, Jiujiang Research Institute and Fujian Provincial Key Laboratory for Soft Functional Materials Research, Xiamen University, Xiamen 361005, PR China

2. Key Laboratory of Marine Materials and Related Technologies, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201, PR China

3. PoreLab, the Njord Centre, Department of Physics, University of Oslo, Oslo 0371, Norway

4. Key Laboratory of Icing and Anti/De-icing, China Aerodynamics Research and Development Center, Mianyang Sichuan 621000, China

5. NTNU Nanomechanical Lab, Norwegian University of Science and Technology (NTNU), Trondheim 7491, Norway

Abstract

The multi-scale approaches including experimentation, MD simulations and ML models improve the understanding of hydrate mechanics and provide a predictive framework for estimating the mechanical properties of hydrates under complex conditions.

Funder

National Natural Science Foundation of China

Fundamental Research Funds for the Central Universities

Higher Education Discipline Innovation Project

Publisher

Royal Society of Chemistry (RSC)

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