拟合动力学参数
在下目前在搞反应动力学,由于实验室无人会,只能自己摸索,目前知道了动力学方程和一些数据,想拟合出参数,并求一个什么MRE和SRS值,求各位大佬帮忙matlab或1stop拟合一下,缺什么东西可以告诉我,另外有搞动力学的同学可以一起讨论一下,真是太难了,麻烦各位了!!!
参数:k1 K1 KA KB KC KD KE
r=k1(CA*CB-CC*CD/K1)/(1+KA*CA+KB*CB+KC*CC+KD*CD+KE*CE)^2
CA CB CC CD CE
3.914545455 2.146060606 4.249745353 2.737478991 0.588533232
3.828484848 2.232121212 4.308152457 2.706725388 0.56087973
3.767272727 2.293333333 4.340183215 2.703875994 0.531698367
3.711515152 2.349090909 4.37840252 2.683194959 0.514160096
4.119544848 1.941061212 4.053019871 2.925930562 0.596807143
3.995503636 2.065102424 4.15042417 2.855163176 0.57017023
3.930325455 2.130280606 4.185406506 2.850376686 0.539974384
3.867855152 2.192750909 4.230895022 2.821869957 0.522992597
4.242424242 1.818181818 3.929393939 3.05030303 0.596060606
4.122233333 1.938372727 4.028575792 2.972130233 0.57505155
4.036520606 2.024085455 4.090222032 2.934550481 0.550985063
3.939393939 2.121212121 4.164242424 2.883636364 0.527878788
4.363636364 1.696969697 3.822139403 3.143599982 0.610018191
4.181818182 1.878787879 3.973000571 3.023695828 0.579061177
4.109090909 1.951515152 4.022277992 2.997868258 0.555611325
4.060606061 2 4.044611444 3.001686202 0.529459929
4.44 1.620606061 3.731246671 3.249021809 0.595489096
4.303030303 1.757575758 3.84742957 3.153625708 0.574702298
4.181818182 1.878787879 3.930166596 3.109363778 0.536227202
4.121212121 1.939393939 3.97701748 3.076268069 0.522472026 返回小木虫查看更多
r 的数据没有,另 1stOpt是不区分大小写的。
参数:KG K1 KA KB KC KD KE
r=kG(CA*CB-CC*CD/K1)/(1+KA*CA+KB*CB+KC*CC+KD*CD+KE*CE)^2
r CA CB CC CD CE
3.2707 3.914545455 2.146060606 4.249745353 2.737478991 0.588533232
3.2707 3.828484848 2.232121212 4.308152457 2.706725388 0.56087973
3.2707 3.767272727 2.293333333 4.340183215 2.703875994 0.531698367
3.2707 3.711515152 2.349090909 4.37840252 2.683194959 0.514160096
4.5701 4.119544848 1.941061212 4.053019871 2.925930562 0.596807143
4.5701 3.995503636 2.065102424 4.15042417 2.855163176 0.57017023
4.5701 3.930325455 2.130280606 4.185406506 2.850376686 0.539974384
4.5701 3.867855152 2.192750909 4.230895022 2.821869957 0.522992597
5.938 4.242424242 1.818181818 3.929393939 3.05030303 0.596060606
5.938 4.122233333 1.938372727 4.028575792 2.972130233 0.57505155
5.938 4.036520606 2.024085455 4.090222032 2.934550481 0.550985063
5.938 3.939393939 2.121212121 4.164242424 2.883636364 0.527878788
6.0373 4.363636364 1.696969697 3.822139403 3.143599982 0.610018191
6.0373 4.181818182 1.878787879 3.973000571 3.023695828 0.579061177
6.0373 4.109090909 1.951515152 4.022277992 2.997868258 0.555611325
6.0373 4.060606061 2 4.044611444 3.001686202 0.529459929
6.5347 4.44 1.620606061 3.731246671 3.249021809 0.595489096
6.5347 4.303030303 1.757575758 3.84742957 3.153625708 0.574702298
6.5347 4.181818182 1.878787879 3.930166596 3.109363778 0.536227202
6.5347 4.121212121 1.939393939 3.97701748 3.076268069 0.522472026
麻烦您了,
均方差(RMSE): 0.261169780173993
残差平方和(SSR): 1.36419308152264
相关系数(R): 0.975770230455897
相关系数之平方(R^2): 0.952127542643954
修正R平方(Adj. R^2): 0.930032562325779
确定系数(DC): 0.952110049532069
卡方系数(Chi-Square): 0.130267014611591
F统计(F-Statistic): 42.7168754119675
参数 最佳估算
---------- -------------
kg -0.163893312002954
k1 1.28342164757612
ka 54.4962573347966
kb -84.1449692576913
kc 67.1452055737064
kd -71.3880858976849
ke -209.837213092912
====== 结果输出 ======
No. 实测值 r 计算值 r
1 3.2707 3.4113409520742
2 3.2707 3.16478637059528
3 3.2707 3.31479775083469
4 3.2707 3.1364858910573
5 4.5701 5.06508488701176
6 4.5701 4.72130539974879
7 4.5701 4.95833678567805
8 4.5701 4.86620414657382
9 5.938 5.80949663720816
10 5.938 5.54919114864549
11 5.938 5.53030156430345
12 5.938 5.39069859262174
13 6.0373 6.11525742685167
14 6.0373 5.81601394103538
15 6.0373 5.89662035754303
16 6.0373 6.22021510593907
17 6.5347 6.59899589023096
18 6.5347 6.4584076607694
19 6.5347 6.68931109384878
20 6.5347 6.71179872058994
太感谢了,您又让我看到了我那被拒n次后发四区的希望,我还有几个模型需要请您计算,明天发给您,您有时间就动动手,我不急,真的感谢你