Solving Reaction Engineering Problems with MATLAB, Linear Regression, ODE Solver

This video is the second of a two part series to solve the following problems. The first video in the series went through the setup of the problems. This video shows how to solve them in MATLAB.

1) Concentrations at various times (minutes) in a batch reactor for C_Ao of 1 mol/L are given in the table below. Determine the order of the reaction and the rate constant.

t | C_A
------------------
0 | 2.500
10 | 1.470
20 | 1.190
30 | 1.040
40 | 0.943
60 | 0.817
70 | 0.774
80 | 0.737
90 | 0.707
100 | 0.680
200 | 0.527
300 | 0.454
400 | 0.408
500 | 0.375
600 | 0.351
700 | 0.331
800 | 0.315
900 | 0.301
1000| 0.290

I show how to solve this problem in MATLAB with the polynomial method, the finite difference method and the graphical method.

(19:55) 2) Concentrations of a sucrose as it is hydrolized is provided in the table below. The rate is model by the Michelis-Menton kinetics.

-r_A = ( 0.01*k*C_A) / (C_A + M )

k and M are constants. Fid constants k and M by using the integral method and by employing non-linear parameter estimation.

t | Conc (mmol/ L)
-----------------------------------
1 | 0.84
2 | 0.68
3 | 0.53
4 | 0.38
5 | 0.27
6 | 0.16
7 | 0.09
8 | 0.04
9 | 0.018
10 | 0.0006
11 | 0.0025

(26:30) 3) Concentrations of a reacting chemical with time are given in the following:

t | Conc. (ppm)
---------------------------
10 | 2.45
20 | 1.74
30 | 1.23
40 | 0.88
50 | 0.62
60 | 0.44

Determine the reaction order and the rate constant.

(28:20) 5) The gas phase reaction 2A - B is taking place in a PBR. The rate constant is 0.5 L^2/(mol*kg*s), the initial molar concentration of A is 0.2 mol/L, and the volumentric flow rate is 0.15 L/s. The pressure drop parameter is 1 kg^(-1). Formulate the ODEs that describe conversion and pressure drop as a function of weight of the catalyst. Solve the ODEs using an appropriate platform and find conversion and dimensionless pressure drop at the exit of the bed with 1 kg of catalyst.

(36:00) 6) A + B - C + D + E is taking place in a semi-batch reactor. A solution containing 1.6 molar concentration of B is fed at a rate of 0.12 moles/min to a reactor containing 1450 L of 0.8 molar A. The reaction rate is 5 L/(mol hr). This reactor capacity is 2400 liters. Write balances for all species and find (plot) concentrations of all species as a function of time.

[JamesVestal-dzqm]

Finite difference method is what we're using on the reaction engineering project. I nailed linear regression on my differential equations final!