Interactions between Coal and Solvent during the Solvent Extraction of Coal in View of Free Radicals

He, Wenjing; Xu, Shuyue; Liu, Muxin; Zhao, Yibo; Huang, Tingting; Liu, Ziheng

doi:10.1021/acsomega.1c04260

Cited by 3 publications

(1 citation statement)

References 52 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Subsequently, 30 g of each kind of dried coal sample was ground to 0.18-0.25 mm and put into a sealed bag for storage. The temperatures of the two kinds of coal samples were raised from 30 C [29], the quartz tube was quickly drawn out for sampling. The experiment results were analyzed by a Nicolet-iS10 Fourier-transform infrared spectrometer.…”

Section: Experimental 221 Preparation Of Coal Samplesmentioning

confidence: 99%

Study on the Reaction Path of -CH3 and -CHO Functional Groups during Coal Spontaneous Combustion: Quantum Chemistry and Experimental Research

Han

Jiang

et al. 2022

Energies

Self Cite

View full text Add to dashboard Cite

Coal spontaneous combustion (CSC) is a disaster that seriously threatens safe production in coal mines. Revealing the mechanism of CSC can provide a theoretical basis for its prevention and control. Compared with experimental research is limited by the complexity of coal molecular structure, the quantum chemical calculation method can simplify the complex molecular structure and realize the exploration of the mechanism of CSC from the micro level. In this study, toluene and phenylacetaldehyde were used as model compounds, and the quantum chemical calculation method was adopted. The reaction processes of the methyl and aldehyde groups with oxygen were investigated with the aid of the Gaussian 09 software, using the B3LYP functional and the 6-311 + G(d,p) basis set and including the D3 dispersion correction. On this basis, the generation mechanisms of CO and CO2, two important indicator gases in the process of CSC, were explored. The calculation results show that the Gibbs free energy changes and enthalpy changes in the two reaction systems are both of negative values. Accordingly, it is judged that the reactions belong to spontaneous exothermic reactions. In the reaction processes, the activation energy of CO is less than that of CO2, indicating that CO is formed more easily in the above-two reaction processes. In addition, the variations in concentrations of important oxidation products (CO and CO2) and main active functional groups (such as methyl, carboxyl and carbonyl) with temperature were revealed through a low-temperature oxidation experiment. The experimental results verify the accuracy of the above quantum chemical reaction path. Moreover, it is also found that the generation mechanisms of CO and CO2 in coal samples with different metamorphic degrees are different. To be specific, for low-rank coal (HYH), CO and CO2 mainly come from the oxidation of alkyl side chains; for high-rank coal (CQ), CO is produced by the oxidation of alkyl side chains, and CO2 is attributed to the inherent oxygen-containing structure.

show abstract

Section: Experimental 221 Preparation Of Coal Samplesmentioning

confidence: 99%

Study on the Reaction Path of -CH3 and -CHO Functional Groups during Coal Spontaneous Combustion: Quantum Chemistry and Experimental Research

Han

Jiang

et al. 2022

Energies

Self Cite

View full text Add to dashboard Cite

show abstract

Free-radical behaviors of co-pyrolysis of low-rank coal and different solid hydrogen-rich donors: A critical review

Wu,

Guan,

et al. 2023

Chemical Engineering Journal

View full text Add to dashboard Cite

Analysis of the Organic Chemical Fractions of Three Coal Extracts

Wang,

Zhu,

2024

Applied Sciences

View full text Add to dashboard Cite

Coal is an important fossil energy source in the world, which provides important support for the development of industry. However, the chemical composition of coal is complex, and it may cause harm to the human body and environment during the process of mining and utilization, especially some aromatic hydrocarbons in coal that are strongly carcinogenic to human beings; thus, it is necessary to analyze the organic chemical compositions of coal so as to realize the clean and harmless utilization of coal. In this article, three different coal samples were extracted by seven solvent-graded extractions, and then the extracts were tested by gas chromatography–mass spectrometry (GC-MS). According to the results of the GC-MS test, it was found that CS2 could dissolve a large amount of aromatic hydrocarbons in the coal, n-hexane could dissolve a larger amount of aliphatic hydrocarbons, methanol could dissolve a larger amount of ketones, benzene could extract phenolic compounds in the coal, acetone could dissolve alcoholic compounds, and the mixed solvent methanol/THF could dissolve coal esters. Then, by analyzing these extracts, researchers can clearly understand the microscopic organic components of coal, which have a significant role in the development of the coal chemical industry and ecological environment protection.

show abstract

Interactions between Coal and Solvent during the Solvent Extraction of Coal in View of Free Radicals

Cited by 3 publications

References 52 publications

Study on the Reaction Path of -CH3 and -CHO Functional Groups during Coal Spontaneous Combustion: Quantum Chemistry and Experimental Research

Study on the Reaction Path of -CH3 and -CHO Functional Groups during Coal Spontaneous Combustion: Quantum Chemistry and Experimental Research

Free-radical behaviors of co-pyrolysis of low-rank coal and different solid hydrogen-rich donors: A critical review

Analysis of the Organic Chemical Fractions of Three Coal Extracts

Contact Info

Product

Resources

About