Experiments and 3D Molecular Model Construction of Lignite under Different Modification Treatment
Open Access
- 28 March 2020
- Vol. 8 (4), 399
- https://doi.org/10.3390/pr8040399
Abstract
In this paper, Huolinhe lignite was selected as the lignite experimental sample, using microwave modification and ultrasonic modification separately as improvement methods. The three-dimensional molecular models of HLH before and after modification were established base on the parameters obtained by 13C NMR, X-ray photoelectron spectroscopy (XPS), Raman spectroscopy (Raman), and Fourier transform infrared (FTIR). After the microwave treatment, the methylene carbon in the HLH coal sample structure mostly exists in the form of long straight chains, and after microwave and ultrasonic treatment, the -OH content of oxygen atoms in the coal sample increases, and form the CO- and the COO-. The proportion is decreasing. The models were adjusted and tested by the covalent bond concentration method and carbon chemical shift spectra calculation using Chemdraw software. A new method is proposed to study the structure and physicochemical properties of lignite modification from the molecular point of view through this study.Keywords
This publication has 15 references indexed in Scilit:
- Guided trilateral filter and its application to ultrasound image despecklingBiomedical Signal Processing and Control, 2019
- The molecular structure of Inner Mongolia lignite utilizing XRD, solid state 13C NMR, HRTEM and XPS techniquesFuel, 2017
- Construction and evaluation of chemical structure model of Huolinhe lignite using molecular modelingRSC Advances, 2017
- A new insight into the structure of Huolinhe lignite based on the yields of benzene carboxylic acidsFuel, 2017
- The structure and pyrolysis product distribution of lignite from different sedimentary environmentApplied Energy, 2016
- Thermal decomposition and evolved gas analysis (TG-MS) of lignite coals from Southwest ChinaJournal of the Energy Institute, 2016
- TG–GC–MS study of volatile products from Shengli lignite pyrolysisFuel, 2015
- Pyrolysis of a large-scale molecular model for Illinois no. 6 coal using the ReaxFF reactive force fieldJournal of Analytical and Applied Pyrolysis, 2014
- Microwave Pyrolysis for Conversion of Materials to Energy: A Brief ReviewEnergy Sources, Part A: Recovery, Utilization, and Environmental Effects, 2012
- Experimental study on microwave drying of Chinese and Indonesian low-rank coalsFuel Processing Technology, 2011