it'd be better to use Matematika
chemical kinetics: fitting exp. data to a model described by a series of diff.equations / need help from a good mathematician :-) /
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Hi All!
I have a series of experimental kinetic data in a form of Concentration = f(time), namely,
L(time) = f0(time),
A(time) = f1(time),
B(time) = f2(time),
C(time) = f3(time),
D(time) = f4(time),
P(time) = f5(time)
and A(time)+...+ P(Time) = known value.
I have a model represented as a system of diff.equations:
% dL/dt = -k_tot*MR3*(L)^2, where k_tot = k_LA + k_LB + k_LC + k_LD
% dMR3/dt = -k_tot*MR3*L
% dP/dt = k_AP*A + k_BP*B + k_CP*C + k_DP*D
% dA/dt = 2*k_LA*MR3*(L)^2 - k_AP*A
% dB/dt = 2*k_LB*MR3*(L)^2 - k_BP*B
% dC/dt = 2*k_LC*MR3*(L)^2 - k_CP*C
% dD/dt = 2*k_LA*MR3*(L)^2 - k_DP*D
I would like to use ODE model (ode45) in order to:
- find/estimate the k_XY
- curve-fit the calculated data with the experimental ones.
The idea is to set up the ODE-based function, which would allow to fit a specified data for a specified diff.equation within the given system of equations ...
Could someone help with the example of code, please ?
Thanks much in advance !
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