QUANTUM-MECHANICAL SIMULATION AND SOME EXPERIMENTAL ASSESSMENT OF THERMODYNAMICS AND MECHANISMS OF COMBUSTION OF SUSPENSION HYDROCARBON MEDIA WITH NANOSIZED HYDROCARBON ADDITIVES

摘要

Quantum-mechanical methods in the cluster approximation were used to instigate thermodynamics and mechanisms of reactions of hydrocarbon fuel combustion, in both the absence and the presence of nanosized hydrocarbon particles. As additives we considered amorphous carbon, carbon nanotubes, graphene, its multilayer modifications, and graphene oxide. The impacts of water on the combustion reaction of similar media were investigated. It was demonstrated that during combustion of water and carbon suspensions, the water molecules were disintegrated into protons and hydroxyls involved in the process of disintegration of solid hydrocarbon particles, affecting the process thermodynamics substantially. The experimental assessments of the simulation results and visualization of the processes of combustion of the said media were made using an original two-circuit unit with high-voltage ignition devices and high-speed filming technique. A qualitative matching of the theoretical predictions by the quantum-mechanical method and the observed experimental assessments was noted.