Molecular Model Construction and Evaluation of Jincheng Anthracite.

ABSTRACT: Despite its importance, limited representations of the anthracite models have been developed. The first molecular representation of Chinese Jincheng anthracite with the incorporation of diverse molecular structures was constructed based on the available analytical data. Three hundred individual aromatic sheets were first built based on the aromatic fringe distribution obtained from high-resolution transmission electron microscopy. Alkyl chains and nitrogen, sulfur, and oxygen heteroatoms were added in the aromatic skeletons to form diverse anthracite structural units based on 13C NMR, X-ray photoelectron spectroscopy, and ultimate analyses. Fifty-five different anthracite molecules were formed by covalent cross-linking considering the constraint imposed by the molecular weight distribution

SUBMITTER: Yan G 

PROVIDER: S-EPMC7240822 | biostudies-literature | 2020 May

REPOSITORIES: biostudies-literature