Batch Reactor Calculation

The calculations in the batch reaction spreadsheet demonstrate how to calculate the time required for a constant-volume batch reaction. The typical problem involves specifying a required conversion. The rate of the chemical reaction varies with concentration and the concentrations vary with time. The solution method involves integrating the reaction rate along the conversion coordinate. A graph of conversion with time is included with the spreadsheet.

The spreadsheet is set up for up to four reactants in any stoichiometric ratio. Integration occurs over 18 intervals, but can be easily expanded. With some manipulation, the overall approach could be expanded to variable-volume reactors, multiple reactions in series, or analysis of a plug-flow reactor.

The integration occurs numerically by Simpson's 3-point rule. To generalize this integration method, attached is a Simpson's rule spreadsheet that explains the numerical method. You can input any function, the upper and lower bounds and the number of intervals. It will calculate the area on the curve for the function.

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