Modified Collision Energy (MCE), a New Chemical Model in the DSMC Algorithm

[+] Author and Article Information
Ramin Zakeri

Department of Mechanical Engineering, Shahrood University of Technology, Shahrood, P. O. Box 3619995161, Iran

Ramin Kamali-Moghadam

Aerospace Research Institute, (Ministry of Science, Research and Technology) P.o.Box:14665-834, Tehran, Iran

Mahmood Mani

Department of Aerospace, Amirkabir University of Technology and center of excellence for computational aerospace engineering, P.o.Box: 15875-4413.Tehran, Iran

1Corresponding author.

ASME doi:10.1115/1.4041552 History: Received February 13, 2018; Revised September 11, 2018


A new chemical model in the DSMC algorithm, entitled by Modified Collision Energy (MCE), has been developed for simulation of reactive rarefied flows without some limitations of the conventional macroscopic models. Determination of correct values of the experimental parameters for computing the Arrhenius reaction rate is a serious challenge in some macroscopic chemical reaction models such as Total Collision Energy (TCE) and General Collision Energy (GCE). The proposed MCE model in the present study is a reliable method to properly determine values of these parameters for all types of gases with the intrinsic properties of the particles and without need of any experimental data. Extraction of constant parameters has been carried out usingthe analytical method and numerical Quantum Kinetics (QK) or Modified Quantum Kinetics (QK) models. The proposed MCE method has been evaluated infourtest cases,including assessment of the reaction rate in equilibrium and non-equilibrium conditions, study of the rarefied flow along the stagnation line and investigation of the hypersonic gas flow over the axial symmetry blunt nose. The results show that the proposed method has desirable accuracy without using any experimental parameters.The MCE method can also be used to calibrate the macroscopic reactive models such as the TCE and GCE.

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