How Can I Code the Rate of Reaction in MATLAB?

[sameer990]

Can Anybody help to code this in matlab

A->B --- A is Sbbstrate here and B is Product
Y[/a]=stiochimetric
Initial values are A[0] and B[0]
Q= reaction quotient

R=active if Q<k ----- R is reaction
R=Stops if Q=k
t=? ------ t is the time

d[A][/dt]= -kA Conc_A(t,A[0],K) and it return A
A=A[0] e[-k][t-t[0]]

And for B
ΔB = YΔA
ΔB=B-B[0] = (A[0]-A)Y Conc_B (B[0],Y,A[0],A) gets A and Return B
B=B[0] + (A[0]-A)Y

t=[0.001 0.002 0.003... 1ms ]

A=Conc_A(t)
B=Conc_B(t)

Plot(t,A,B)

 

[sameer990]

Please do reply ?

 

[bigfooted]

look up RK45

 

[timthereaper]

I think the Matlab command is ode45 for an RK4-type algorithm.

 

[alphy]

First, let's define the rate of reaction in mathematical terms. The rate of reaction is the change in concentration of a reactant (A) or product (B) over time (t). In MATLAB, this can be expressed using the differential equation d[A]/dt = -k[A], where k is the rate constant and [A] is the concentration of A at a given time.

To code this in MATLAB, we can use the built-in function "ode45" to solve the differential equation. The code would look something like this:

% Define initial values
A0 = 1; % Substrate concentration at t=0
B0 = 0; % Product concentration at t=0
k = 0.01; % Rate constant

% Define the reaction quotient Q
Q = A0/B0;

% Define the function for concentration of A over time
dAdt = @(t,A) -k*A;

% Use ode45 to solve the differential equation and get concentration of A at different time points
[t,A] = ode45(dAdt, [0 1], A0);

% Calculate concentration of B using the stoichiometric ratio
B = B0 + (A0-A)*Q;

% Plot the results
plot(t,A,t,B);
xlabel('Time (s)');
ylabel('Concentration (M)');
legend('A','B');
title('Concentration of A and B over time');

This code will give you a plot of the concentration of A and B over time, with A decreasing and B increasing as the reaction progresses. You can change the initial values, rate constant, and time range as needed for your specific reaction.