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C. Co-Electrolysis Integrated Process Models 1. 1-D Co-Electrolysis Model A one-dimensional chemical equilibrium model was developed for the analysis of steam and CO2 co-electrolysis. This model can be used to predict open-cell and operating potentials, electrolyzer outlet compositions, and outlet temperatures for specified inlet gas flow rates, current densities, cell area-specific resistance, and thermal boundary condition. The Nernst potential for the co-electrolysis system can be calculated as a function of temperature using the Nernst equation for either steam-hydrogen or for CO2-CO systems, provided the equilibrium composition of the components is used in evaluating the equation. Therefore, prior to applying the Nernst equation, the electrolyzer inlet equilibrium composition must be determined at the operating temperature. The chemical equilibrium co- electrolysis model determines the equilibrium composition of the system as follows. The overall water gas shift reaction that occurs during heating from the cold unmixed inlet state to the hot mixed pre-electrolyzer state can be represented as shown in Equation (12). y0,CO CO + y0,CO2 CO2 + y0,H2 H2 + y0,H2O H2O → y1,CO CO + y1,CO2 CO2 + y1,H2 H2 + y1,H2O H2O (12) The y0,j values represent the cold inlet mole fractions of CO, CO2, H2, and H2O, respectively, that are known from specification of the individual component inlet gas flow rates. The unknown equilibrium mole fractions of the four species at the electrolyzer temperature prior to electrolysis are represented by the y1,j values. There are three governing chemical balance equations for carbon, hydrogen, and oxygen corresponding to Equation (12), as shown in Equations (13, 14, and 15). y0,CO + y0,CO2 = y1,CO +y1,CO2 (13) 2y0,H2 +2y0,H2O = 2y1,H2 + 2y1,H2O (14) y0,CO + 2y0,CO2 +y0,H2O = y1,CO + 2y1,CO2 + y1,H2O (15) The final Equation invokes the equilibrium constant for the shift reaction is represented by (16). (16) Simultaneous solution of Equations (13) through (15) yields the hot inlet composition. Once the hot inlet equilibrium composition is determined, the open-cell Nernst potential can be calculated from Equation (17). (17) yO2 represents the mole fraction of oxygen on the air-sweep side of the cells (yO2 ~ 0.21). Note that the Nernst equation for either steam-hydrogen or CO2-CO yields the same result for the equilibrium system. The electrolyzer outlet composition can be determined similarly, after accounting for electrochemical reduction of the system. The chemical balance equation for oxygen must be modified to account for oxygen removal from the CO2 and steam mixture. Accordingly, the oxygen balance can be represented as in Equation (18). y1,CO + 2y1,CO2 + y1,H2O = y2,CO + 2y2,CO2 + y2,H2O +ΔnO (18) 10 American Institute of Aeronautics and AstronauticsPDF Image | CO2 and Steam Co-Electrolysis for Resource Utilization in Space
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