Simulation strategies for ReaxFF molecular dynamics in coal pyrolysis applications: A review

S Liu, L Wei, Q Zhou, T Yang, S Li, Q Zhou - Journal of Analytical and …, 2023 - Elsevier
Research on pyrolysis mechanisms has attracted significant attention as they can efficiently
assist in coal resource utilization. Although experimental techniques have significant …

Recent progress and perspective on thermal-kinetic, heat and mass transportation of coal spontaneous combustion hazard

X Lu, J Deng, Y Xiao, X Zhai, C Wang, X Yi - Fuel, 2022 - Elsevier
The thermal dynamic hazard raised by coal spontaneous combustion (CSC) is greatly
challenging the worldwide coal industry. Understanding the mechanisms of CSC can …

Guided synthesis of a Mo/Zn dual single‐atom nanozyme with synergistic effect and peroxidase‐like activity

CB Ma, Y Xu, L Wu, Q Wang, JJ Zheng… - Angewandte Chemie …, 2022 - Wiley Online Library
We present a facile route towards a dual single‐atom nanozyme composed of Zn and Mo,
which utilizes the non‐covalent nano‐assembly of polyoxometalates, supramolecular …

Effective adsorption of dyes on an activated carbon prepared from carboxymethyl cellulose: Experiments, characterization and advanced modelling

H Wang, Z Li, S Yahyaoui, H Hanafy, MK Seliem… - Chemical Engineering …, 2021 - Elsevier
An activated carbon with a high surface area and outstanding adsorption properties was
prepared for dye removal from water. The new adsorbent was obtained from the chemical …

Experimental study on the effect of cold soaking with liquid nitrogen on the coal chemical and microstructural characteristics

S Liu, X Li - Environmental Science and Pollution Research, 2023 - Springer
In this paper, the chemical microstructure of coal samples is quantitatively analyzed
experimentally before and after liquid nitrogen cold soaking, by using elemental analyzer, X …

[HTML][HTML] Insight into the microstructural evolution of anthracite during carbonization-graphitization process from the perspective of materialization

H Zeng, B Xing, Y Cao, B Xu, L Hou, H Guo… - International Journal of …, 2022 - Elsevier
Materialization of coal is one of effective and clean pathways for its utilization. The
microstructures of coal-based carbon materials have an important influence on their …

Molecular structure characterization of middle-high rank coal via XRD, Raman and FTIR spectroscopy: Implications for coalification

J Jiang, W Yang, Y Cheng, Z Liu, Q Zhang, K Zhao - Fuel, 2019 - Elsevier
In recent years, the major coal producing areas in China have entered the period of deep
mining, with coal rank changing from low-rank coal (LRC) to middle-high rank coal (MHRC) …

Mineral dissolution and pore alteration of coal induced by interactions with supercritical CO2

K Chen, X Liu, B Nie, C Zhang, D Song, L Wang… - Energy, 2022 - Elsevier
CO 2 injection into coal seams can not only enhance the recovery of coalbed methane, but
also achieve the goal of CO 2 geological sequestration, reducing greenhouse gas …

Hydrogen storage potential of coals as a function of pressure, temperature, and rank

M Arif, HR Abid, A Keshavarz, F Jones… - Journal of colloid and …, 2022 - Elsevier
We conducted measurements of hydrogen adsorption on three coal samples of varying
ranks at high pressure (0 to 102 bar) and elevated temperatures (303 K to 333 K) to assess …

Alterations in coal mechanical properties and permeability influenced by liquid CO2 phase change fracturing

X Liu, X Jia, Y Niu, B Nie, C Zhang, D Song - Fuel, 2023 - Elsevier
Liquid CO 2 phase change fracturing (LCPCF) is a promising approach for stimulating coal
reservoirs and enhancing gas drainage efficiency of low-permeability coal seams. In this …