T=[
77 77 63.5 53.3 53.3 77.6 77.6 77.6 52.9 52.9 77.6 62.7 53.7 53.7 79.5 79.5 64.0 64.0 54.5 39.2 38.3 49.4 40.2 40.2 40.2 40.2 39.7 40.2 40.2 40.2 39.9 39.9 39.8];
%rate constant k in unite mol/m^3 kE5=[ 2.70 2.87 1.48 0.71 0.66 2.44 1.26 2.40 0.72 0.70 2.40 1.42 0.69 0.68 3.03 3.06 1.31 1.37 0.70 0.146 0.159 0.260 0.284 0.323 0.283 0.284 0.277 0.318 0.323 0.326 0.312 0.314 0.307]*10^5;
TKelvin=T+273; % change to kelvin
Tnew=1./TKelvin;
knew=log10(kE5);
R= 82.05746; %cm^3?atm.?K^?1.?mol^?1 polyfit(Tnew,knew,1) c1=polyfit(Tnew,knew,1); polyval(c1,Tnew); plot(Tnew,knew,'b*',Tnew,polyval(c1,Tnew))
Command window
>> classwork_week4
ans =
1.0e+03 *
-2.8178 0.0134
%Question a)Equation 2
Tabs=298;% unit kelvin
TKelvin_2=1/Tabs-1./TKelvin;
polyfit(TKelvin_2,knew,1) c1=polyfit(TKelvin_2,knew,1); polyval(c1,TKelvin_2); plot(TKelvin_2,knew,'b*',TKelvin_2,polyval(c1,TKelvin_2)) Command window
>> classwork_week4
ans =
1.0e+03 *
2.8178 0.0040
Editor
%Question b) Equation 1 function f=classworkfuncequation1(a,Tnew)
A=a(1);
B=a(2); f=A*exp(-B.*Tnew); Command window
Cguessequation1=[1 1];
>> Cnew=nlinfit(Tnew,knew,@classworkfuncequation1,Cguessequation1)
Cnew =
27.6813 572.1670
>> Cguessequation1=[1 1];
>> Cnew=lsqcurvefit(@classworkfuncequation1,Cguessequation1,Tnew,knew)
Local minimum found.
Optimization completed because the size of the gradient is less than the default value of the function tolerance.
<stopping criteria details>
Cnew =
27.6813 572.1670
Editor
%Question b) Equation 2 function f=classworkfunc(a,TKelvin_2)
A=a(1);
B=a(2); f=A*exp(-B.*TKelvin_2); Command Window
>> Cguessequation2=[1 1];
>>