Allyana Marie M.

Tiemsim 4CheC Machine Problem Application of Runge Kutta Problem: Given the isothermal, constant volume, elementary , batch reactions:

Section

With CAO = 2M, CRO = 0.2M and CSO =3M. Assume that k2=3k1. Time for 60% conversion of A is 45 min. a.) Determine CR at t=45mins. b.) It is desired to produce the maximum amount of R per batch. If the downtime is 30 min per batch, how many batches can be made assuming 24 hours operation? c.) If the reactor volume 3.85m3, how much kmols of R are produced per batch? d.) Determine the concentration of S at t=45 mins.

Solution: For A: -rA = k1CA -rA= dCA/ dt =k1CA CA= CAO e-k1t CAO(1-XA) = CAO e-k1t (1-0.6)= e-k1 (45mins) k1= 0.0203620162/min k2=3k1 k2= 0.06108604879 +rR =+dCR/ dt = 2.5K1 CAO e-k1t - k2CR2.5 Substituting the given values: f (t, CR) = 2.5(0.02036)(2) e-0.02036(t) - 0.06109CR2.5 f (t, CR) = 0.10181 e-0.02036(t) - 0.06109CR2.5 Working Equation a.) Using Runge-Kutta Method, CRMAX = 0.040577M at t=20mins +rR1= 2.5K1CA +rR2= - k2CR2.5 Net rR= rR= 2.5K1CA - k2CR2.5 For R: +rR1=kRCA = 2.5K1CA +rR2= - k2CR2.5

CR =0.902101 at t=45mins

b.) 29 batches

c.) CRMAX NR= CRMAX x V =0.040577kmol/m3 x 3.85m3 NR= 0.15622 kmols of R d.) By material balance, CAO CA1= CR1 CRO 2.5 CR1 - CR = CS - CSO 2.5 2 CA= (0.02036)(2) e-0.02036(45) = 0.01629M CAO CA1 - CR = CRO + CS - CSO 2.5 2.5 2

2M 0.01629M- 0.902101M = - 0.2M + CS - 3 2.5 CS= 0.50574M 2.5 2