Kinetic Analysis of Laminar Combustion Characteristics of a H2/Cl2 Mixture at CO2/N2 Dilution

ACS Omega. 2022 Feb 15;7(8):7350-7360. doi: 10.1021/acsomega.1c07313. eCollection 2022 Mar 1.

Abstract

Garbage and biomass contain more chlorine, which reacts with H2 to form HCl gas during combustion or gasification, resulting in corrosion of metal walls. In this paper, based on the chlorine mechanism in Ansys Chemkin-Pro, the laminar combustion characteristics of H2/Cl2 are simulated with different diluents CO2/N2 under an initial temperature of 298 K, equivalence ratio range of 0.6-1.4, and initial pressure of 0.1-0.5 MPa. The results show that the laminar burning velocity of H2/Cl2 decreases significantly with the increase of dilution gas ratio, and the effect of diluent CO2 is more significant than that of N2. Due to the dilution effect, the fuel and oxidation components are reduced. Through sensitivity analysis, reaction R2: Cl + H2 = HCl + H is the main reaction of HCl formation. On improving the initial pressure, the laminar burning velocity is slightly lowered, and the thermal diffusivity of the fuel mixture increases with the increase of the initial pressure. According to the sensitivity analysis of the velocity, reactions R2, R9, and R10 are the main reactions that affect the laminar burning velocity, and the product HCl will be generated with a delay with the increase of the initial pressure.