The structural characteristics of coal at the molecular level are important for its efficient use. Bituminous coal from the Baozigou Coal Mine is investigated, using elemental analysis, 13C nuclear magnetic resonance, X-ray photoelectron spectroscopy, and Fourier transform infrared. The molecular structure was determined. The aromatic compounds of bituminous coal molecules are primarily two- and three-ring structures, and the aliphatic structures are primarily in the form of methyl, ethyl side chains, and naphthenic hydrocarbons. The ratio of aromatic bridge carbon to peripheral carbon in the molecular structure is 0.279. Oxygen atoms in the form of carbonyl, phenolic hydroxyl and C–O, and nitrogen atoms in pyrroles. Thus, the average structure model of bituminous coal macromolecules was constructed; the molecular formula was C169H128O10N2S, and the molecular weight was 2378. The aromatic structural units in the macromolecular structure of coal include four naphthalenes, three anthracenes, two tetracenes, and heteroatoms in the form of three carbonyl groups, one phenolic hydroxyl group, one pyrrole, and one pyridine. The structure optimization and annealing kinetic simulation of a single macromolecular structure model were performed. Chemical bonds such as bridge bonds and aliphatic bonds were found to be twisted, and π–π interactions between the aromatic sheets in the molecule produced adjacent aromatic sheets. This arrangement tends to be approximately parallel, and the total energy decreases from 6713.401 to 2667.595 kJ/mol, among which the bond stretching energy and van der Waals energy dominate. We used 20 bituminous coal macromolecular models to construct aggregated structural models. After optimization by molecular dynamics simulation, the macromolecules were constrained by the surrounding molecules, and the sheet-like aromatic carbon structures that were originally approximately parallel were distorted. The macromolecular structure model of bituminous coal constructed in this study provides a theoretical model basis for the optimal surfactant.

To simulate the transonic atomization jet process in Laval nozzles, to test the law of droplet atomization and distribution, to find a method of supersonic atomization for dust-removing nozzles, and to improve nozzle efficiency, the finite element method has been used in this study based on the COMSOL computational fluid dynamics module. The study results showed that the process cannot be realized alone under the two-dimensional axisymmetric, three-dimensional and three-dimensional symmetric models, but it can be calculated with the transformation dimension method, which uses the parameter equations generated from the two-dimensional axisymmetric flow field data of the three-dimensional model. The visualization of this complex process, which is difficult to measure and analyze experimentally, was realized in this study. The physical process, macro phenomena and particle distribution of supersonic atomization are analyzed in combination with this simulation. The rationality of the simulation was verified by experiments. A new method for the study of the atomization process and the exploration of its mechanism in a compressible transonic speed flow field based on the Laval nozzle has been provided, and a numerical platform for the study of supersonic atomization dust removal has been established.

To effectively solve the problem of dust pollution caused by the parallel double-belt transportation of coal in a coal preparation plant, taking the Huangyuchuan coal preparation plant as an example, a numerical model of the air flow-dust distribution was established by means of simulation. The flow lines between the strips of tape and the tail of the tape machine will gather, and there will be backflow on the right side of the 3001 tape and left side of the 3002 tape. Under the action of wind current, most of the dust particles larger than 10 μm are distributed in the range of 0–5 m on both sides of the tape; dust particles smaller than 10 μm spread to the entire preparation workshop. Combined with field test verification, dust pollution is mainly concentrated at the guide trough, the feed inlet, the rear of the machine, and the joint of the belt corridor. Based on this, a targeted spray dust reduction treatment plan is proposed. By measuring the dust concentration before and after the treatment of dust-polluted areas, it is proven that the dust reduction efficiency of this plan can reach more than 90%.

To solve the problem of dust pollution in the heading face, a new type of external pneumatic vortex fog curtain dust removal device suitable for a fully mechanized excavation face is designed in this paper. Firstly, dust migration laws at different times are simulated and analyzed by COMSOL software, and the functional relationship of dust concentration distribution above 50 mg/m³ at different heights and different wind speed is derived. Aiming at the dust migration laws of the heading face, a new dust removal device was proposed, and the atomization performance of the new type of external pneumatic vortex fog curtain dust removal device under different jet wind speed, different atomization pressure, and different nozzle working angle is explored through atomization performance experiment. It is found that when jet wind speed is 30 m/s, atomization pressure is 4 MPa, and nozzle working angle is 75°, the atomization performance of the new type of external pneumatic vortex fog curtain dust removal device is the best. Through the simulation of COMSOL software, the influence of air volume on the new type of external pneumatic vortex fog curtain dust removal device is analyzed. It is found that the new type of external pneumatic vortex fog curtain dust removal device is relatively stable when the air volume at the pressure outlet is less than 400 m³/min. The dust‐reduction efficiency of the new type of external pneumatic vortex fog curtain dust removal device was investigated through the dust‐reduction experiment, and it is found that the new type of external pneumatic vortex fog curtain dust removal device had better dust removal performance under the condition that the ventilation conditions did not interfere with the integrity of the vortex fog curtain.