Creation and Generation Mechanism of Macromolecular Representation for Dongsheng Coal Vitrinite.

Insights into macromolecules of coal were critical for improving the understanding of the coal upgrading and coalification process. Here, the creation and generation of macromolecular representation for Dongsheng coal vitrinite was clarified using industry analysis, elemental analysis, and the peak fitting technology of C nuclear magnetic resonance (C NMR), Fourier transform infrared spectrum, and X-ray diffraction. The structural parameters and macromolecular representation (CHNO) were innovatively calculated and created based on these characterization results and chemical shift correction, finally obtaining the plane macromolecular models whose C NMR spectrum was close to the experimental spectrum.