Evaluation of novel solvent extraction systems for Zr/Hf separation with MIBK homologues

Molecular simulation of CO production and adsorption in a coal–kaolinite composite gangue slit model

“…Gao 8 established a coal macromolecule model through experiments and fully verified the applicability of reactive force field (ReaxFF) in simulated coal pyrolysis using thermogravimetric analysis. Zhao 9 used Grand Canonical Monte Carlo (GCMC) to simulate the effect of pore structures on the adsorption of water using a low-rank coal model and found that the adsorption of water in coal is positively correlated with fugacity, porosity and other factors. Sui 10 studied the simulation of adsorption of methane, CO 2 and other gases by modified silica, and found that different functional groups had great differences in the priority of gas adsorption.…”