The concentrations of five species are plotted, as a function of dimensionless time, for three irreversible, elementary, liquid-phase reactions in an isothermal batch reactor. Use sliders to change the dimensionless rate constants for each reaction. The initial amounts of A and B in the reactor are 10 mol and 5 mol, respectively. Use buttons to plot just one concentration or all five together.
Three liquid-phase reactions take place in an isothermal batch reactor:
A + B → C, with reaction rate r1 = k1 CA CB,
C → 2 E, with reaction rate r2 = k2 CC,
2 A → D, with reaction rate r3 = k3 CA2,
where Ci is the concentration of component i, ri is rate of reaction, and ki is the rate constant.
Mass balances on each component:
dCA/dt = −r1 − 2 r3,
dCB/dt = −r1,
dCC/dt = r1 − r2,
dCD/dt = r3,
dCE/dt = 2 r2,
NA = CA V,
where t is time, NA are moles of A, and V is reactor volume. Initially 10 moles of A and 5 moles of B are fed into the reactor.
This simulation was created in the Department of Chemical and Biological Engineering at University of Colorado Boulder for LearnChemE.com by John L. Falconer using Claude AI. It is a JavaScript/HTML5 implementation of a Mathematica simulation by Muqbil Alkhalaf and Rachael L. Baumann. It was prepared with financial support from the National Science Foundation (DUE 2336987 and 2336988) in collaboration with Washington State University. Address any questions or comments to LearnChemE@gmail.com.