Oleochemical carbonates: A comprehensive characterization of an emerging class of organic compounds

Alessandro Triolo,Vitaly V. Chaban,Fabrizio Lo Celso,Francesca Leonelli,Michael Vogel,Elisa Steinrücken,Alessandra Del Giudice,Carlo Ottaviani,James A. Kenar,Olga Russina

Journal of Molecular Liquids（2023）

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摘要

•Chemical physical and structural characterization of a large family of symmetric dialkyl carbonates (DACs).•Development of MD simulation interatomic potential for the compound family.•Nature of the structural organization in DACs: role of hydrogen bonding and mesoscopic segregation.

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关键词

Dialkyl carbonate,Sustainable,Mesoscopic organization,Hydrogen bonding,Molecular Dynamics,X-ray Scattering

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