CO2 Conversion in a Microwave Plasma Catalyst System

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CO2 Conversion in a Microwave Plasma Catalyst System ( co2-conversion-a-microwave-plasma-catalyst-system )

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5.5 GlobalKin 5.5.1 Description of Model GlobalKin is a zero-dimensional global kinetics plasma simulation used primarily to model the plasma chemistry of gas phase reactions [4,17,96]. The model is comprised of three main modules used to perform the calculations. An external Boltzmann solver is used to solve Boltzmann’s equation to obtain the electron energy distribution functions (EEDFs), which are needed to compute rate coefficients for electron-impact reactions. The rate coefficients are an input for the reaction chemistry and transport module, which generates differential equations describing the time evolution of species densities and temperatures. These differential equations are integrated using the third module, a stiff ordinary differential equation (ODE) solver which presents results for species density and temperature as a function of time or position. A schematic diagram of the three modules and how they interact is shown in Figure 5.15. Figure 5.15: Diagram of GlobalKin modules. For a given set of plasma species and reaction equations, the chemistry and transport module will first begin to develop continuity equations for each neutral (Ni) and charged (Ni±) species, as shown in Equations 5.11 and 5.12, respectively [96]. The first two terms of Equation 5.11 account for diffusion to and from the wall, where Di is the regular diffusivity of species i in the mixture and the sum over all species. The constant γj is the wall reactive sticking coefficient, and fji is the returned fraction of species j as species i from the wall. The term Si is the source term for reactions, and the last term accounts for the change in gas temperature (Tg) due to gas expansion 100

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