Simulation of the Influence of Fire Prevention and Extinguishing Gel on Coal Adhesiveness Based on Forcite
Aiming at the problem that the adhesive performance of adhesiveness type fire prevention and extinguishing gel(PAA/SA/TA)and coal body is not clear,this paper conducts molecular dynamics simulation(MD)on PAA/SA/TA and coal through molecular simulation(MS)software,reveals the adhesion mechanism of PAA/SA/TA and coal.By calculating the adhesion work-176.21 kcal/(mol·Å2)of PAA/SA/TA and coal interface,it shows that there is adhesiveness between PAA/SA/TA and coal surface;according to the results of dynamic simulation,it is found that the adhesion characteristics between PAA/SA/TA and the surface of coal body are spontaneous;nose thermostat is used to conduct a MD simulation under the environment of NVT(constant atomic number,volume and temperature),the distribution situation of PAA/SA/TA on the surface of coal is analyzed.The above analysis is helpful for developing new type of adhesiveness type fire prevention and extinguishing materials to solve the problem of coal mine fire disaster prevention and governance.
molecular simulationadhesive workinteraction energyfire prevention and extinguishing gel
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