Molecular dynamics (MD) has evolved into a ubiquitous, versatile and powerful
computational method for fundamental research in science branches such as biology …

Affordable and clean energy is one of the major sustainable development goals that can
transform our world. Currently, researchers are focusing on cheap carbon electrode …

Large-scale consumption of renewable energy (RE) is the driving force underpinning the
sustainable development of the world. However, the intermittence and randomness of its …

Coals varying in rank from lignite to anthracite were comprehensively characterized with
regard to chemical structure using FTIR and Raman spectroscopy. Structural parameters …

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) …

Research on pyrolysis mechanisms has attracted significant attention as they can efficiently
assist in coal resource utilization. Although experimental techniques have significant …

The characteristics of gas loading, diffusion and adsorption in pore models of coal
molecules within variety pore sizes were different. The Grand canonical Monte Carlo and …

The methodology development and applications of ReaxFF molecular dynamics (ReaxFF
MD) in unraveling the complex reactions and kinetics for pyrolysis and oxidation of organic …

The presence of sulfur affects the clean utilization of coking coal. Inorganic sulfur in coal,
which exists mainly in the form of pyrite, inherently pollutes clean coal during flotation, while …

From carbides in steel to cobalt–carbon covalent bonds in vitamin B 12, transition metal (TM)–
carbon interactions play a critical role in so many aspects of human life that we rarely realize …