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Series Reaction in Batch Reactor Problem Statement: The elementary liquid-phase series reaction k1 k2 A ---------> B ---------> C is carried out

in a 500 dm3 batch reactor. The initial concentration of A is 1.6 mol/dm3. The desired product is B and separation of the undesired product C is very difficult and costly. Because the reaction is carried out at a relatively high temperature, the reaction is easily quenched. Additional information: Cost of pure reactant A = $10/mol A Selling price of pure B = $50/mol B Separation cost of A from B = $50/mol A Separation cost of C from B = $30 (e0.5Cc - 1) k1 = 0.4 h-1 k2 = 0.01 h-1 at 100C (a) Assuming that each reaction is irreversible, plot the concentrations of A, B, and C as a function of time. (b) Calculate the time the reaction should be quenched to achieve the maximum profit. SOLUTION For parts a), and b) of this problem we are dealing with a constant volume batch rector in which a liquid phase reaction occurs. We can assume, therefore, that the volume remains constant. Dividing the material balances for A, B and C by the volume gives the three material balances dCA/dt = -k1CA dCB/dt = k1CA - k2CB

dCC/dt = k2CB Note we could also replace the last material balance by an overall balance CC = CAo + CBo + CCo - CA - CB but let's solve this using the three ODE's. First define the constants in the problem. k1 := 0.4 k2 := 0.01 CAo := 1.6 CBo := 0 CCo := 0 V := 500

Z := Rkadapt(y, 0, 200, 200,D) ii := 0.. 200

b) we need to compute the profit that would be generated. Since we have all of the concentrations as a function of time we can use this information to compute the profit. The profit would be given by. P = - CAo*V*$10 + CB*V*$50 + CA*V*$10 - CA*V*$50 - $30*(e0.5*CC - 1) where the first, fourth and fifth terms are negatives because these are costs of the operation. The second term is positive as this represents the creation of the product B. The third term represents a credit to process from the recovery of unused A. The profit is thus given by, Z(ii, 4) := -10*CAo*V + 50*Z(ii, 2)*V + 10*Z(ii, 1)*V 50*Z(ii, 1)*V 30*[exp[0.5*Z(ii,3)]-1 Now plot the profit as shown below

To the nearest hour the maximum in the profit occurs at t = 11 hours with a profit of $27,850. Result & Conclusion:

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