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[ÇóÖú] ÓÃmatlabÇó¶¯Á¦Ñ§²ÎÊýk1-k7,½ð±ÒûÓУ¬Ì«º®í×Çë¼ûÁÂÒÑÓÐ1È˲ÎÓë

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t/h      C1        C2       C3       C4        C5
0       100       0      0      0      0
0.5      18.7     48.9     19.3      9.7       0.2
1       6.5       31.3     34.7     19.6      2.6
1.5      2.7       15.3     41.2     28.7      5.7
2       2.1       6.9      40.9      34.5      9.3
3       1.7       2.2      37.2      38.4     17.1
4       1.5       1.8      31.7      38.2      24.8
5       1.2       1.7      26.1      36.3      30.5
6       0.2       0.5      19.4      33.4      36.7

΢·Ö·½³Ì×é

dC1dt = -k1*C1-k7*C1;
dC2dt = k1*C1-k2*C2-k5*C2;
dC3dt = k2*C2-k3*C3-k6*C6;
dC4dt = k3*C3-k4*C4;
dC5dt = k4*C4;
dC6dt = k5*C2+k6*C3+k7*C1;
ÎÒÍøÉÏÒÀºù«»­Æ°ÌîµÄ±¨´í½á¹û³ö²»À´

´úÂ룺

function odes_fit
format long
clear all
clc


k0 = [0 0 0 0 0 0];   
lb = -[1 1 1 1 1 1]*1e9;
ub = [1 1 1 1 1 1]*1e9;

data=...
    [0         100             0            0            0            0            0
         0.5    18.7   48.9   19.3    9.7   0.2   0.0;
          1    6.5   31.3   34.7   19.6   2.6   0.0;
          1.5    2.7    15.3   41.2   28.7   5.7   0.05;
          2    2.1    6.9    40.9   34.5   9.3   0.1;
          3    1.7    2.2    37.2   38.4   17.1   0.12;
          4    1.5    1.8    31.7   38.2   24.8   0.16;
          5    1.2    1.7    26.1   36.3   30.5   0.22;
          6    0.2    0.5    19.4   33.4   36.7   0.3;
];
x0=data(1,2:end);
tspan = [data(:,1)'];
yexp = [data(2:end,2) data(2:end,3) data(2:end,4) data(2:end,5) data(2:end,6) data(2:end,7)];

[k,resnorm,residual,exitflag,output,lambda,jacobian] = ...
    lsqnonlin(@ObjFunc,k0,lb,ub,[],tspan,x0,yexp);      
ci = nlparci(k,residual,jacobian);
fprintf('\n\nʹÓú¯Êýlsqnonlin()¹À¼ÆµÃµ½µÄ²ÎÊýֵΪ:\n')
fprintf('\tk1 = %.9f \n',k(1))
fprintf('\tk2 = %.9f \n',k(2))
fprintf('\tk3 = %.9f \n',k(3))
fprintf('\tk4 = %.9f \n',k(4))
fprintf('\tk5 = %.9f \n',k(5))
fprintf('\tk5 = %.9f \n',k(6))
fprintf('\tk5 = %.9f \n',k(7))


figure(1)

ts=0(max(tspan)-min(tspan))/100):max(tspan);
[ts ys] = ode45(@KineticsEqs,ts,x0,[],k);
yy = [data(:,2) data(:,3) data(:,4) data(:,5) data(:,6) data(:,7)];
figure(1)
plot(ts,ys(:,1),'b',tspan,yy(:,1),'bo');
figure(2)
plot(ts,ys(:,2),'r',tspan,yy(:,2),'ro');
figure(3)
plot(ts,ys(:,3),'k',tspan,yy(:,3),'ko');
figure(4)
plot(ts,ys(:,4),'g',tspan,yy(:,4),'go');
figure(5)
plot(ts,ys(:,5),'m',tspan,yy(:,5),'mo');
figure(6)
plot(ts,ys(:,6),'h',tspan,yy(:,6),'ho');
figure(7)
plot(ts,ys(:,1),'b',tspan,yy(:,1),'bo',ts,ys(:,2),'r',tspan,yy(:,2),'ro',ts,ys(:,3),'k',tspan,yy(:,3),'ko',ts,ys(:,4),'g',tspan,yy(:,4),'go',ts,ys(:,5),'m',tspan,yy(:,5),'mo',ts,ys(:,5),'h',tspan,yy(:,5),'ho'),
legend('C1µÄ¼ÆËãÖµ','C1µÄʵÑéÖµ','C2µÄ¼ÆËãÖµ','C2µÄʵÑéÖµ','C3µÄ¼ÆËãÖµ','C3µÄʵÑéÖµ','C4µÄ¼ÆËãÖµ','C4µÄʵÑéÖµ','C5µÄ¼ÆËãÖµ','C5µÄʵÑéÖµ','C6µÄ¼ÆËãÖµ','C6µÄʵÑéÖµ','Location','best');



function f = ObjFunc(k,tspan,x0,yexp)           % Ä¿±êº¯Êý
[t Xsim] = ode45(@KineticsEqs,tspan,x0,[],k);
Xsim1=Xsim(:,1);
Xsim2=Xsim(:,2);
Xsim3=Xsim(:,3);
Xsim4=Xsim(:,4);
Xsim5=Xsim(:,5);
Xsim6=Xsim(:,6);

ysim(:,1) = Xsim1(2:end);
ysim(:,2) = Xsim2(2:end);
ysim(:,3) = Xsim3(2:end);
ysim(:,4) = Xsim4(2:end);
ysim(:,5) = Xsim5(2:end);
ysim(:,6) = Xsim6(2:end);



f = [(ysim(:,1)-yexp(:,1)) (ysim(:,2)-yexp(:,2)) (ysim(:,3)-yexp(:,3)) (ysim(:,5)-yexp(:,5))  (ysim(:,6)-yexp(:,6)) ...
    (ysim(:,6)-yexp(:,6))];

function dCdt = KineticsEqs(t,C,k)              % ODEÄ£ÐÍ·½³Ì
C1=C(1);C2=C(2);C3=C(3);C4=C(4);
k1=k(1);k2=k(2);k3=k(3);k4=k(4);k5=k(5);k6=k(6);k7=k(7);
dC1dt = -k1*C1-k7*C1;
dC2dt = k1*C1-k2*C2-k5*C2;
dC3dt = k2*C2-k3*C3-k6*C6;
dC4dt = k3*C3-k4*C4;
dC5dt = k4*C4;
dC6dt = k5*C2+k6*C3+k7*C1;

dCdt = [dC1dt;dC2dt;dC3dt;dC4dt;dC5dt;dC6dt;];
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k1=2.9355£» k2=1.318£» k3=0.44525£» k4=0.2476£» k5=2.2315e-14£» k6=2.2214e-14£» k7=0.47562
C1µÄÄâºÏ¾«¶ÈR^2=0.99696
C2µÄÄâºÏ¾«¶ÈR^2=0.98746
C3µÄÄâºÏ¾«¶ÈR^2=0.74181
C4µÄÄâºÏ¾«¶ÈR^2=0.71926
C5µÄÄâºÏ¾«¶ÈR^2=0.94598
QQ£º2120156492
2Â¥2021-01-11 19:19:58
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3Â¥2021-04-24 21:45:22
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ÒýÓûØÌû:
2Â¥: Originally posted by hzlhm at 2021-01-11 19:19:58
Èç·½³ÌûÓдíÎóµÄ»°£¬ÆäkֵΪ
k1=2.9355£» k2=1.318£» k3=0.44525£» k4=0.2476£» k5=2.2315e-14£» k6=2.2214e-14£» k7=0.47562
C1µÄÄâºÏ¾«¶ÈR^2=0.99696
C2µÄÄâºÏ¾«¶ÈR^2=0.98746
C3µÄÄâºÏ¾«¶ÈR^2=0.74181
C4µÄ ...

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