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一路向北1211

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[求助] 1stOpt拟合动力学参数已有2人参与

听说这个软件1stOpt可以拟合动力学参数，涉及到多参数的情况下比MATLAB更高效？
实验数据ExpData = ...
                  t       y1                   y2                y3             y4             y5             y6
      [ 20276.4 0.524933    0.015160    0.034247          0.049678 0.042493 0.048705
         15544.8 0.565928    0.016405    0.025675          0.035539 0.105374 0.036335
         12435.8 0.635708    0.017098    0.018350          0.023165 0.127280 0.025302
         10363.2 0.663704    0.015437    0.011760          0.016443 0.161281 0.019342
         7772.40 0.710197    0.012874    0.006357          0.010724 0.171001 0.013644
         15840.0 0.478691    0.015317    0.038807          0.056022 0.052035 0.049784
         12672.0 0.544696    0.017613    0.031530          0.038851 0.095962 0.036315
         10560.0 0.585210    0.018444    0.025214    0.028700 0.125622 0.029087
         7920.00 0.629790    0.017852    0.015888    0.018250 0.166011 0.021326
         6336.00 0.664716    0.016108    0.010087          0.013052 0.185704 0.015519
         10758.0 0.510701       0.018743       0.039316       0.045492 0.078866 0.038200
         8068.50 0.578239       0.020151       0.028095       0.028405 0.134897 0.024460
         6454.80 0.622556       0.019838       0.019259       0.018934 0.166062 0.018166
         5379.00 0.652604       0.018307       0.014439       0.014335 0.180215 0.014117
         4610.60 0.667576       0.016048       0.009840       0.010565 0.200809 0.012332
         10954.8 0.446400       0.017853       0.047938       0.056591 0.060466 0.045798
         6572.90 0.561169       0.020556       0.033192       0.031908 0.132280 0.021964
         4694.90 0.624082    0.020550       0.020227       0.017017 0.177808 0.014202
         3651.60 0.659205    0.018635       0.012475       0.011012 0.200108 0.010419
         2987.70 0.665006    0.015238       0.007869       0.010369 0.221306 0.009117
         5575.80 0.514906    0.021258       0.042926       0.049267 0.068656 0.030418
         4181.90 0.561172    0.021724       0.034264       0.037491 0.115704 0.019845
         3345.50 0.641624    0.021579       0.021906       0.020604 0.146161 0.012826
         2787.90 0.734110    0.021300       0.016030       0.015080 0.161670 0.009900
         2389.60 0.850940    0.021100       0.011580       0.010600 0.172740 0.007470
   ]
r1=k1*(y(1)*101325)*(K1*y(5)*101325).^(n1)/((1+(K1*y(1)*101325).^(n1)+K2*y(5)*101325).^2);
r2=k2*(y(2)*101325).^(m2)*(y(5)*101325).^(n2)/((1+K3*y(6)*101325).^(n2));
r3=k3*(y(1)*101325).^(m3)*(y(5)*101325).^(n3)/((1+K4*y(6)*101325).^(n3));
r4=k4*(y(2)*101325).^(m4)*(y(5)*101325).^(n4)/((1+K5*y(6)*101325).^(n4));
r5=k5*(y(3)*101325).^(m5)*(y(5)*101325).^(n5)/((1+K6*y(6)*101325).^(n5));
r6=k6*(y(4)*101325).^(m6)*(y(5)*101325).^(n6)/((1+K7*y(6)*101325).^(n6));
dydt=zeros(6,1);
dydt(1)=-2*r1-r3;
dydt(2)=r1-r2-r4;
dydt(3)=r2-r5;
dydt(4)=r3+2*r4+2*r5-r6;
dydt(5)=-0.5*(r1+r2+r6)-1.5*r3-2.5*r4-2*r5;
dydt(6)=r6;
y0=[0.67,0,0,0,0.33,0];  %各种组分的初值
k1=k(1);
k2=k(2);
k3=k(3);
k4=k(4);
k5=k(5);
k6=k(6);
n1=k(7);
m2=k(8);
n2=k(9);
m3=k(10);
n3=k(11);
m4=k(12);
n4=k(13);
m5=k(14);
n5=k(15);
m6=k(16);
n6=k(17);
K1=k(18);
K2=k(19);
K3=k(20);
K4=k(21);
K5=k(22);
K6=k(23);
K7=k(24);
k0=[1.1*10^(-8),1.74*10^(-8),3.52*10^(-14),5*10^(-10),5*10^(-10),9.4*10^(-10),0.76,0.24,0.36,1,0.58,0.5,0.5,0.5,0.5,0.5,0.5,1.88*10^(-3),4.29*10^(-5),4.15*10^(-4),2.55*10^(-5),2.55*10^(-4),2.55*10^(-5),2.55*10^(-3)];
还请帮忙，@dingd

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1楼 2017-12-22 16:02:06

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追星的吐司

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【答案】应助回帖

这是我的代码，你和我的数据很像，都是动力学数据，但现在我的数据有点问题，导致拟合不出来，没有高版本的
ODEAlgorithm = RKF45;
Parameters k(6)[0,10000];
Variable x,y(7);
ODEStep = 1;
ODEFunction
y1'=-0.01*k1*y1;
y2'=0.01014*k1*y1-0.01*k2*y2;
y3'=0.006389*k2*y2+0.00697*k5*y6-0.01*k3*y3;
y4'=0.010217*k3*y3-0.01*k4*y4;
y5'=0.004681*k4*y4+0.004783*k2*y2+0.003333*k5*y6+0.003099*k6*y7;
y6'=-0.01*k5*y6;
y7'=-0.01*k6*y7;
Data;
0,0.415,0,0,0,0,0.301,0.284
0.4174,0.0010,0.0000,0.3415,0.0021,0.6131,0.0000,0.0000
0.4826,0.0000,0.0000,0.3733,0.0023,0.5855,0.0000,0.0000
0.5720,0.0280,0.0000,0.3329,0.0012,0.6356,0.0000,0.0000
0.6176,0.0000,0.0000,0.3268,0.0016,0.6527,0.0000,0.0000
0.7765,0.0000,0.0000,0.2512,0.0012,0.7368,0.0000,0.0000
1.0455,0.0010,0.0000,0.0672,0.0019,0.9201,0.0000,0.0000