Can MatLab help this beginner with a chemistry problem about acid-base titrations

I have never used MatLab before and have the following equation

ca, cb, Ka, Kb, Kw and Va are either constants or pre-determined (Va). I know it should be easy to tabulate/calculate values of Vb for given values of [H+] (hydrogen ion concentration) but how easy would it be to determine values of [H+] for selected values of Vb? Would it be easy to set up bearing in mind my lack of experience?

Answer 1

[Star Strider]

I was in the process of posting a response to the yesterday when my computer sbruptly crashed (in the wake of the Win 11 2022 2 ‘upgrade’).

Vbfcn = @(Ca,Cb,Ka,Kb,Kw,Va,H) Va.*((Ca./(1+H./Ka) - H + Kw./H) ./ (Cb./(1+Kw./(H*Kb)) + H - Kw./H));

Ca = rand*1E-7;
Cb = rand*1E-7;
Ka = rand*1E-7;
Kb = rand*1E-7;
Kw = rand*1E-7;
Va = rand*1E-7;

H = fminunc(@(H)Vbfcn(Ca,Cb,Ka,Kb,Kw,Va,H), 1)

Initial point is a local minimum.

Optimization completed because the size of the gradient at the initial point 
is less than the value of the optimality tolerance.

H = 1

I am not certain what you’re doing with this. Choose the appropriate solver for the problem. There are several optons.

EDIT — (11 Oct 2022 at 18:40)

One approach —

Ca =  0.1; 
Cb = 0.05;  
Va = 20; 
Ka = 1.8E-5;  
Kb = 1.8E-5;  
Kw = 1E-14;

Vbfcn = @(Ca,Cb,Ka,Kb,Kw,Va,H) Va.*((Ca./(1+H./Ka) - H + Kw./H) ./ (Cb./(1+Kw./(H*Kb)) + H - Kw./H));

Vbv = (1:0.5:40);
for k = 1:numel(Vbv)
    Hv(k) = fsolve(@(H)norm(Vbv(k) - Vbfcn(Ca,Cb,Ka,Kb,Kw,Va,H)), 1E-7);
end

Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved at initial point.

fsolve completed because the vector of function values at the initial point
is near zero as measured by the value of the function tolerance, and
the problem appears regular as measured by the gradient.

figure
plot(Vbv, Hv)
grid
xlabel('V_b')
ylabel('[H^+]')

figure
semilogy(Vbv, Hv)
grid
xlabel('V_b')
ylabel('[H^+]')

I leave the rest to you.

.

[Paul]

I am getting a strange result using the following

Ca =  0.1; 
Cb = 0.1;  
Va = 20; 
Ka = 1.8E-5;  
Kb = 0.63;  
Kw = 1E-14;

Vbfcn = @(Ca,Cb,Ka,Kb,Kw,Va,H) Va.*((Ca./(1+H./Ka) - H + Kw./H) ./ (Cb./(1+Kw./(H*Kb)) + H - Kw./H));

Vbv = (1:0.5:40);
for k = 1:numel(Vbv)
    Hv(k) = -log10(fsolve(@(H)norm(Vbv(k) - Vbfcn(Ca,Cb,Ka,Kb,Kw,Va,H)), 1E-7));
end

figure
plot(Vbv, Hv)
grid
xlabel('V_b')
ylabel('[H^+]')

The resulting graph is shown in the attached document which also shows graphs from other sources which are exactlyas expected. The same parameters were used throughout.

[Star Strider]

The initial estimate is important in any nonlinear parameter estimate approach —

Ca =  0.1; 
Cb = 0.1;  
Va = 20; 
Ka = 1.8E-5;  
Kb = 1.8E-5;  
Kw = 1E-14;

Vbfcn = @(Ca,Cb,Ka,Kb,Kw,Va,H) Va.*((Ca./(1+H./Ka) - H + Kw./H) ./ (Cb./(1+Kw./(H*Kb)) + H - Kw./H));

Vbv = (1:0.5:40);
for k = 1:numel(Vbv)
    Hv(k) = fsolve(@(H)norm(Vbv(k) - Vbfcn(Ca,Cb,Ka,Kb,Kw,Va,H)), 1E-11);
end

Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


No solution found.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared, but the vector of function values
is not near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


No solution found.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared, but the vector of function values
is not near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


No solution found.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared, but the vector of function values
is not near zero as measured by the value of the function tolerance.


No solution found.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared, but the vector of function values
is not near zero as measured by the value of the function tolerance.


No solution found.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared, but the vector of function values
is not near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


No solution found.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared, but the vector of function values
is not near zero as measured by the value of the function tolerance.


No solution found.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared, but the vector of function values
is not near zero as measured by the value of the function tolerance.


No solution found.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared, but the vector of function values
is not near zero as measured by the value of the function tolerance.


No solution found.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared, but the vector of function values
is not near zero as measured by the value of the function tolerance.


No solution found.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared, but the vector of function values
is not near zero as measured by the value of the function tolerance.


No solution found.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared, but the vector of function values
is not near zero as measured by the value of the function tolerance.


Equation solved, solver stalled.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared and the vector of function values
is near zero as measured by the value of the function tolerance.


No solution found.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared, but the vector of function values
is not near zero as measured by the value of the function tolerance.


No solution found.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared, but the vector of function values
is not near zero as measured by the value of the function tolerance.


No solution found.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared, but the vector of function values
is not near zero as measured by the value of the function tolerance.


No solution found.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared, but the vector of function values
is not near zero as measured by the value of the function tolerance.


No solution found.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared, but the vector of function values
is not near zero as measured by the value of the function tolerance.


No solution found.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared, but the vector of function values
is not near zero as measured by the value of the function tolerance.


No solution found.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared, but the vector of function values
is not near zero as measured by the value of the function tolerance.


No solution found.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared, but the vector of function values
is not near zero as measured by the value of the function tolerance.


No solution found.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared, but the vector of function values
is not near zero as measured by the value of the function tolerance.


No solution found.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared, but the vector of function values
is not near zero as measured by the value of the function tolerance.


No solution found.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared, but the vector of function values
is not near zero as measured by the value of the function tolerance.


No solution found.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared, but the vector of function values
is not near zero as measured by the value of the function tolerance.


No solution found.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared, but the vector of function values
is not near zero as measured by the value of the function tolerance.


No solution found.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared, but the vector of function values
is not near zero as measured by the value of the function tolerance.


No solution found.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared, but the vector of function values
is not near zero as measured by the value of the function tolerance.


No solution found.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared, but the vector of function values
is not near zero as measured by the value of the function tolerance.


No solution found.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared, but the vector of function values
is not near zero as measured by the value of the function tolerance.


No solution found.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared, but the vector of function values
is not near zero as measured by the value of the function tolerance.


No solution found.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared, but the vector of function values
is not near zero as measured by the value of the function tolerance.


No solution found.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared, but the vector of function values
is not near zero as measured by the value of the function tolerance.


No solution found.

fsolve stopped because the relative size of the current step is less than the
value of the step size tolerance squared, but the vector of function values
is not near zero as measured by the value of the function tolerance.

figure
plot(Vbv, Hv)
grid
xlabel('V_b')
ylabel('[H^+]')

figure
plot(Vbv, -log10(Hv))
grid
xlabel('V_b')
ylabel('pH')

The result would be smoother and the (equilibrium region would have a steeper slope) if the ‘Vbv’ vector had better resolution (rather than being in steps of 0.5). Also, the hydrogen ion concentrations are close to the limit of floatiing point accuracy (the eps value). It might be possible to get more consistent accuracy by experimenting with different tolerances in the options structure and perhaps by scaling the variables and then re-scaling the results. That aside, this works reasonably well.

.

[Paul]

Many thanks - I now have plenty to work on whilst I start learning. All your effort and time is very much appreciated.

[Star Strider]

My pleasure!

If my Answer helped you solve your problem, please Accept it!

.

Answer 2

[Image Analyst]

Just take it one small step at a time, like

H = 2;
Ka = 30;
Kw = 50;
term1 = 1 + H/Ka;
term2 = -H + Kw/H;
numerator = (Ca / term1) + term2;

Similar for the denominator, then

Vb = Va * (numerator / denominator);

To learn other fundamental concepts, invest 2 hours of your time here:

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[Paul]

That answers the first part of the question but not the second part which is:

How to calculate H for different values of Vb (assuming Va and the other values are constant or known)

[John D'Errico]

@Paul And the answer to that is to spend some time learning MATLAB.

Answer 3

[Paul]

What I am trying to do is this (with some typical values)

Ca = 0.1 Cb = 0.05 Va = 20 Ka = 1.8 * 10^-5 Kb = 1.8 * 10^-5 Kw = 10^-14

Two tables required:

First table choose values of Vb = 1,,,40 (with intervals of 0.5) - Show corresponding values of H

Second table choose values of pH (= - logH) from 1-14 (with intervals of 0.1) - show coresponding values of Vb

A sample script would be most helpful (never used MATLAB before). Many thanks