December 4, 2025CrystEngComm

Theoretical Investigation to Predict Physicochemical Performances and Evaluate Comprehensive Properties of A Novel CL-20/LLM-116 Cocrystal Explosive: A Molecular Dynamics (MD) Study

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Key finding reveals performance improvements in cocrystalled energetic materials.
Investigation emphasizes properties' tunability through supramolecular chemistry, leading to enhanced performance.
Approach utilizes a molecular dynamics simulation to analyze the physicochemical behaviors of the cocrystal.
Study supports the use of cocrystallization in developing advanced explosive materials; broader impacts on the field highlighted.

Implication

Theoretical investigation evaluates materials properties of CL-20/LLM-116 cocrystal, highlighting supramolecular chemistry's role.

Abstract

Cocrystallization technology is a successfully application of supramolecular chemistry in ameliorating performances of materials. Besides, this technology is regarded as a promising and effective approach to tune properties of energetic...

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Cite This Study

Hang et al. (2025) studied this question.

synapsesocial.com/papers/6930e8c6ea1aef094cca34b8 https://doi.org/10.1039/d5ce00928f

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Implication

Theoretical investigation evaluates materials properties of CL-20/LLM-116 cocrystal, highlighting supramolecular chemistry's role.

Theoretical Investigation to Predict Physicochemical Performances and Evaluate Comprehensive Properties of A Novel CL-20/LLM-116 Cocrystal Explosive: A Molecular Dynamics (MD) Study

Key Points

Implication

Abstract

Discussion

Cite This Study

Theoretical Investigation to Predict Physicochemical Performances and Evaluate Comprehensive Properties of A Novel CL-20/LLM-116 Cocrystal Explosive: A Molecular Dynamics (MD) Study

Key Points

Implication

Abstract

Discussion

Cite This Study

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