Carbon, molar balances equilibrium equation

In Equations (6.1) to (6.3), is the reactor outlet temperature in °C, and Tapp is the approach temperature calculated from the gas analysis for the Boudouard reaction in K. The according pressure-based equilibrium constant is represented by p,B in bar and was fitted (ln(/ p) over 1/T) with a third-order polynomial expression, is the total system pressure in bar and xqo is the mole fraction of CO in the product gas. All variables are imported automatically and the equations are solved iteratively. Of course, the Boudouard reaction itself is not valid as soon as carbon is set as inert. However, the calculation procedure provides a temperature and pressure dependent empirical ( pseudo-Boudouard ) expression that relates to CO2/CO and permits a robust correlation for this generic model with a smooth transition to the zone where carbon is present. Including this modification, the model results for the validation case indicate the right order of magnitude for the CO2 concentration (1.22% deviation of the molar flows). The hydrogen balance of the case from the literature had a feilure rate of 3.13% hence, the model with a closed balance predicts the same excessive amount All error for the other components could be reconciled to less than 1.3% each. 

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