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MATHLAB

The document contains MATLAB function files for a case study involving root-finding methods. It includes a function for calculating equilibrium equations related to pH and pCO2, as well as implementations for the Bisection, Regula Falsi, Newton-Raphson, and Secant methods. Each method is designed to find the root of a specified function with adjustable parameters for error tolerance and maximum iterations.

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Rheyann Paz
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12 views5 pages

MATHLAB

The document contains MATLAB function files for a case study involving root-finding methods. It includes a function for calculating equilibrium equations related to pH and pCO2, as well as implementations for the Bisection, Regula Falsi, Newton-Raphson, and Secant methods. Each method is designed to find the root of a specified function with adjustable parameters for error tolerance and maximum iterations.

Uploaded by

Rheyann Paz
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as DOCX, PDF, TXT or read online on Scribd
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Let's start by creating the function file for the case study:

% File name: fpH.m

function f = fpH(pH, pCO2)

% Constants

K = 10^-146;

K1 = 10^-6.3;

K2 = 10^-10.3;

Kw = 10^-14;

Ka = 10^-1;

% Equilibrium equations

H = 10^(-pH);

CO2 = 10^(-pCO2);

% Nonlinear system of equations

f(1) = H^2 / (H^2 + K * H + K * K2) - CO2;

f(2) = (K * K2 * H^2) / (H^2 + K * H + K * K2) - Ka * (Kw / H);

% Column vector

f = f';

end

Now, let's create MATLAB function files for each of the root-finding methods (bisection, regula falsi,
Newton-Raphson, and Secant):

Bisection Method (bisect.m):


% File name: bisect.m

function [root, iterations, ea] = bisect(func, xl, xu, es, maxit)

if nargin < 5

maxit = 100;

end

if nargin < 4

es = 0.0001;

end

iter = 0;

xr = xl;

ea = 100;

while (1)

xrold = xr;

xr = (xl + xu) / 2;

iter = iter + 1;

if xr ~= 0

ea = abs((xr - xrold) / xr) * 100;

end

test = func(xl) * func(xr);

if test < 0

xu = xr;

elseif test > 0

xl = xr;

else

ea = 0;

end

if ea <= es || iter >= maxit

break

end

end

root = xr;

iterations = iter;

end

Regula Falsi Method (falsepos.m):


% File name: falsepos.m

function [root, iterations, ea] = falsepos(func, xl, xu, es, maxit)

if nargin < 5

maxit = 100;

end

if nargin < 4

es = 0.0001;

end

iter = 0;

xr = xl;

ea = 100;

while (1)

xrold = xr;

xr = xu - (func(xu) * (xl - xu)) / (func(xl) - func(xu));

iter = iter + 1;

if xr ~= 0

ea = abs((xr - xrold) / xr) * 100;

end

test = func(xl) * func(xr);

if test < 0

xu = xr;

elseif test > 0

xl = xr;

else

ea = 0;

end

if ea <= es || iter >= maxit

break

end

end

root = xr;

iterations = iter;

end

Newton-Raphson Method (newtrap.m):


% File name: newtrap.m

function [root, iterations, ea] = newtrap(func, x0, es, maxit)

if nargin < 4

maxit = 100;

end

if nargin < 3

es = 0.0001;

end

iter = 0;

xr = x0;

ea = 100;

while (1)

xrold = xr;

xr = xrold - func(xrold) / (func(xrold + 0.0001) - func(xrold)) * 0.0001;

iter = iter + 1;

if xr ~= 0

ea = abs((xr - xrold) / xr) * 100;

end

if ea <= es || iter >= maxit

break

end

end

root = xr;

iterations = iter;

end

Secant Method (secantm.m):


% File name: secantm.m

function [root, iterations, ea] = secantm(func, x0, x1, es, maxit)

if nargin < 5

maxit = 100;

end

if nargin < 4

es = 0.0001;

end

iter = 0;

ea = 100;

while (1)

x2 = x1 - (func(x1) * (x1 - x0)) / (func(x1) - func(x0));

iter = iter + 1;

if x2 ~= 0

ea = abs((x2 - x1) / x2) * 100;

end

if ea <= es || iter >= maxit

break

end

x0 = x1;

x1 = x2;

end

root = x2;

iterations = iter;

end

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