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2Â¥2017-04-11 10:02:44
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×ö²ÎÊýÄâºÏ£¬Ê×ÏÈÏÈ¿´¾ö¶¨ÏµÊý£¨»òÏà¹ØÏµÊý£©µÄ¸ßµÍ£¬ÔÙ¿´ÆäËûµÄ¡£
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ÄãºÃ£¡ÒÔÏÂÊÇÓÃmatlab¼ÆËãµÄ½á¹û,ʹÓõÄci = nlparci(k,residual,jacobian)º¯Êý£¬ÖÃÐŶÈΪ95%¡£Ëã³öÀ´µÄ¾ö¶¨ÏµÊýÔÚ0.9ÒÔÉÏÄØ¡£Ëã³öÀ´µÄÖÃÐÅÇø¼äºÃ´ó°¡£¬²»ÖªÎÊÌâ³öÔÚÄÄ£¿
ci =

   1.0e+03 *

   -0.1666    0.1667
   -0.0000    0.0000
   -0.1562    0.1562
   -6.0471    6.0552



ÒÔfmincon()µÄ½á¹ûΪ³õÖµ£¬Ê¹Óú¯Êýlsqnonlin()¹À¼ÆµÃµ½µÄ²ÎÊýֵΪ:
        k1 = 0.05881980024
        k2 = 0.00000000000
        k3 = 0.00396318725
        k4 = 4.05955359944
  The sum of the squares is: 6.0e-06


output =
firstorderopt: 6.1534e-07
       iterations: 1
        funcCount: 10
     cgiterations: 0
        algorithm: 'trust-region-reflective'
          message: [1x425 char]
3Â¥2017-04-11 11:16:48
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3Â¥: Originally posted by 1135725495 at 2017-04-11 11:16:48
ÄãºÃ£¡ÒÔÏÂÊÇÓÃmatlab¼ÆËãµÄ½á¹û,ʹÓõÄci = nlparci(k,residual,jacobian)º¯Êý£¬ÖÃÐŶÈΪ95%¡£Ëã³öÀ´µÄ¾ö¶¨ÏµÊýÔÚ0.9ÒÔÉÏÄØ¡£Ëã³öÀ´µÄÖÃÐÅÇø¼äºÃ´ó°¡£¬²»ÖªÎÊÌâ³öÔÚÄÄ£¿
ci =

   1.0e+03 *

   -0.1666     ...

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4Â¥2017-04-11 11:22:39
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¸ø³ö¾ßÌåÊý¾ÝºÍ·½³Ì£¬²¢Ö¸Ã÷Òò±äÁ¿¡¢×Ô±äÁ¿¡¢´ý¹À¼Æ²ÎÊý...

ÏÂÃæÊdzÌÐò£¬·½³Ì r1 =-dc/dt=(k(1)*c^2-0.25*k(2)*(9.404-c)^2)/(1+k(3)*c+0.5*k(4)*(9.404-c))^2£¬Êý¾ÝÊÇc¹ØÓÚtµÄ·½³Ì£¬Òò±ä»¯Á¿c,×Ô±äÁ¿ÊÇt,´ý¹À¼Æ²ÎÊýk(1),k(2),k(3),k(4)
function parafit
%  
% r1 =(k(1)*c^2-0.25*k(2)*(9.404-c)^2)/(1+k(3)*c+0.5*k(4)*(9.404-c))^2;
%
% dCAdt = - r1;
clear all
clc
%        t/min   CA     / mol/L
  Kinetics=[0        8.8599786
3        7.81716904
6        7.3661532
9        7.062404
12        6.82862056
15        6.63696704
18        6.47380764
21        6.33133704
31        5.95301412
41        5.6663802
51        5.43447756
61        5.23953264];
k0 = [0.04539  0.008031  0.07300  3.0230];         % ²ÎÊý³õÖµ
lb = [0 0  0  0];                  % ²ÎÊýÏÂÏÞ
ub =[1  1   1  10];      % ²ÎÊýÉÏÏÞ
x0 = [8.8599786];
yexp = Kinetics;                  
warning off
% ʹÓú¯Êýfmincon()½øÐвÎÊý¹À¼Æ
[k,fval,flag] = fmincon(@ObjFunc7Fmincon,k0,[],[],[],[],lb,ub,[],[],x0,yexp);
fprintf('\nʹÓú¯Êýfmincon()¹À¼ÆµÃµ½µÄ²ÎÊýֵΪ:\n')
fprintf('\tk1 = %.11f\n',k(1))
fprintf('\tk2 = %.11f\n',k(2))
fprintf('\tk3 = %.11f\n',k(3))
fprintf('\tk4 = %.11f\n',k(4))
fprintf('  The sum of the squares is: %.1e\n\n',fval)
k_fm= k;
warning off
% ʹÓú¯Êýlsqnonlin()½øÐвÎÊý¹À¼Æ
[k,resnorm,residual,exitflag,output,lambda, jacobian,] = ...
    lsqnonlin(@ObjFunc7LNL,k0,lb,ub,[],x0,yexp);      
ci = nlparci(k,residual,jacobian)
fprintf('\n\nʹÓú¯Êýlsqnonlin()¹À¼ÆµÃµ½µÄ²ÎÊýֵΪ:\n')
fprintf('\tk1 = %.11f\n',k(1))
fprintf('\tk2 = %.11f\n',k(2))
fprintf('\tk3 = %.11f\n',k(3))
fprintf('\tk4 = %.11f\n',k(4))
fprintf('  The sum of the squares is: %.1e\n\n',resnorm)
k_ls = k;
output
warning off
% ÒÔº¯Êýfmincon()¹À¼ÆµÃµ½µÄ½á¹ûΪ³õÖµ£¬Ê¹Óú¯Êýlsqnonlin()½øÐвÎÊý¹À¼Æ
k0 = k_fm;
[k,resnorm,residual,exitflag,output,lambda,jacobian] = ...
    lsqnonlin(@ObjFunc7LNL,k0,lb,ub,[],x0,yexp);      
ci = nlparci(k,residual,jacobian)
fprintf('\n\nÒÔfmincon()µÄ½á¹ûΪ³õÖµ£¬Ê¹Óú¯Êýlsqnonlin()¹À¼ÆµÃµ½µÄ²ÎÊýֵΪ:\n')
fprintf('\tk1 = %.11f\n',k(1))
fprintf('\tk2 = %.11f\n',k(2))
fprintf('\tk3 = %.11f\n',k(3))
fprintf('\tk4 = %.11f\n',k(4))
fprintf('  The sum of the squares is: %.1e\n\n',resnorm)
k_fmls = k;
output
tspan = [0  3 6 9 12 15 18 21 31 41 51 61];
[t x] = ode45(@KineticEqs,tspan,x0,[],k_fmls);
figure;
plot(t,x,'o-',t,yexp(:,2),'*');legend('Predictive value','Experimental data')
x


% ------------------------------------------------------------------
function f = ObjFunc7Fmincon(k,x0,yexp)
tspan = [0  3 6 9 12 15 18 21 31 41 51 61];
[t x] = ode45(@KineticEqs,tspan,x0,[],k);   
f =  sum((x-yexp(:,2)).^2) ;
% ------------------------------------------------------------------
function f = ObjFunc7LNL(k,x0,yexp)
tspan = [0  3 6 9 12 15 18 21 31 41 51 61];
[t x] = ode45(@KineticEqs,tspan,x0,[],k);   
f1 = x - yexp(:,2);
f = [f1];
% ------------------------------------------------------------------
function dxdt = KineticEqs(t,x,k)
dxdt=-(k(1)*x^2-0.25*k(2)*(9.404-x)^2)/(1+k(3)*x+0.5*k(4)*(9.404-x))^2;
5Â¥2017-04-11 12:31:25
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1135725495: ½ð±Ò+5, ¡ï¡ï¡ïºÜÓаïÖú 2017-04-11 14:46:28
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6Â¥2017-04-11 13:48:24
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6Â¥: Originally posted by ÔÂÖ»À¶ at 2017-04-11 13:48:24
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function parafit
%  
% r1 =(k(1)*c^2-0.25*k(2)*(9.404-c)^2)/(1+k(3)*c+0.5*k(4)*(9.404-c))^2;
%
% dCAdt = - r1;
clear all
clc
%        t/min   CA     / mol/L
  Kinetics= ...

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8Â¥: Originally posted by ÔÂÖ»À¶ at 2017-04-11 15:19:29
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9Â¥: Originally posted by 1135725495 at 2017-04-11 20:49:19
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10Â¥2017-04-11 21:05:54
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