拟合求助:1stopt正版sharedmodel计算求助,我自己写好代码,帮求4组
代码:
parameters k12,k13;
constant k9=9.92471*10^(-15), k10=4.36826*10^(-7), k11=4.63956*10^(-11), h=3251.622, m=3.285;
variable a,p;
parvariable t=[0.000001,0.000000000001];
sharedmodel;
function a=(p/h+k10*p/(h*t)+k10*k11*p/(h*t^2)+k10*m*(p/h)/(k12*k13*t+k10*p/h+k13*t^2))/m;
t=(1+k13*m*t/(k12*k13*t+k10*p/h+k13*t^2))*(k10*p/(h*t)+k10*m*(p/h)/(k12*k13*t+k10*p/h+k13*t^2)+2*k10*k11*p/(h*t^2)+k9/t);
data;
0.638 34.5
0.667 46.5
0.684 60
0.713 78
对应其他三组数据:
k9 2.86026*10^(-14) 9.38162*10^(-14) 2.49148*10^(-13)
k10 5.01604*10^(-7) 5.23156*10^(-7) 4.79116*10^(-7)
k11 5.99747*10^(-11) 7.23603*10^(-11) 7.57401*10^(-11)
h 4078.309 5344.079 6791.551
m 3.285 3.285 3.285
a,p
//0.598 34.5
0.612 46.5
0.636 60
0.66 78
//0.538 34.5
0.562 46.5
0.583 60
0.598 78
//0.465 34.5
0.495 46.5
0.517 60
0.533 78@月只蓝@beefly 返回小木虫查看更多
顶一下
模型公式: a = (p/3251.622+4.36826E-7*p/(3251.622*t)+4.36826E-7*4.63956E-11*p/(3251.622*t^2)+4.36826E-7*3.285*(p/3251.622)/(k12*k13*t+4.36826E-7*p/3251.622+k13*t^2))/3.285
a = (p/3251.622+4.36826E-7*p/(3251.622*t)+4.36826E-7*4.63956E-11*p/(3251.622*t^2)+4.36826E-7*3.285*(p/3251.622)/(238.258176720815*3.69008634786073e-5*t+4.36826E-7*p/3251.622+3.69008634786073e-5*t^2))/3.285
模型公式: t = (1+k13*3.285*t/(k12*k13*t+4.36826E-7*p/3251.622+k13*t^2))*(4.36826E-7*p/(3251.622*t)+4.36826E-7*3.285*(p/3251.622)/(k12*k13*t+4.36826E-7*p/3251.622+k13*t^2)+2*4.36826E-7*4.63956E-11*p/(3251.622*t^2)+9.92471E-15/t)
t = (1+3.69008634786073e-5*3.285*t/(238.258176720815*3.69008634786073e-5*t+4.36826E-7*p/3251.622+3.69008634786073e-5*t^2))*(4.36826E-7*p/(3251.622*t)+4.36826E-7*3.285*(p/3251.622)/(238.258176720815*3.69008634786073e-5*t+4.36826E-7*p/3251.622+3.69008634786073e-5*t^2)+2*4.36826E-7*4.63956E-11*p/(3251.622*t^2)+9.92471E-15/t)
迭代数: 24
计算用时(时:分:秒:微秒): 00:00:01:647
优化算法: 通用全局优化算法(UGO1)
计算结束原因: 达到收敛判断标准
均方差(RMSE): 0
残差平方和(SSR): 0
相关系数(R): 1
相关系数之平方(R^2): 1
修正R平方(Adj. R^2): -100
确定系数(DC): 1
参数 最佳估算
-------------------- -------------
k12 238.258176720815
k13 3.69008634786073E-5
t0 3.09325866287863E-7
t1 3.70106253183998E-7
t2 4.45708163439644E-7
t3 5.1208433542262E-7
====== 结果输出 ======
文件: 数据文件-1
No 目标 a 计算 a
1 0.638 0.638
2 0.667 0.667
3 0.684 0.684
4 0.713 0.713
模型公式: a = (p/4078.309+5.01604E-7*p/(4078.309*t)+5.01604E-7*5.99747E-11*p/(4078.309*t^2)+5.01604E-7*3.285*(p/4078.309)/(k12*k13*t+5.01604E-7*p/4078.309+k13*t^2))/3.285
a = (p/4078.309+5.01604E-7*p/(4078.309*t)+5.01604E-7*5.99747E-11*p/(4078.309*t^2)+5.01604E-7*3.285*(p/4078.309)/(3.55859929088445e-10*6027.61803316927*t+5.01604E-7*p/4078.309+6027.61803316927*t^2))/3.285
模型公式: t = (1+k13*3.285*t/(k12*k13*t+5.01604E-7*p/4078.309+k13*t^2))*(5.01604E-7*p/(4078.309*t)+5.01604E-7*3.285*(p/4078.309)/(k12*k13*t+5.01604E-7*p/4078.309+k13*t^2)+2*5.01604E-7*5.99747E-11*p/(4078.309*t^2)+2.86026E-14/t)
t = (1+6027.61803316927*3.285*t/(3.55859929088445e-10*6027.61803316927*t+5.01604E-7*p/4078.309+6027.61803316927*t^2))*(5.01604E-7*p/(4078.309*t)+5.01604E-7*3.285*(p/4078.309)/(3.55859929088445e-10*6027.61803316927*t+5.01604E-7*p/4078.309+6027.61803316927*t^2)+2*5.01604E-7*5.99747E-11*p/(4078.309*t^2)+2.86026E-14/t)
迭代数: 24
计算用时(时:分:秒:微秒): 00:00:01:616
优化算法: 通用全局优化算法(UGO1)
计算结束原因: 达到收敛判断标准
均方差(RMSE): 0
残差平方和(SSR): 0
相关系数(R): 1
相关系数之平方(R^2): 1
修正R平方(Adj. R^2): -100
确定系数(DC): 1
参数 最佳估算
-------------------- -------------
k12 3.55859929088445E-10
k13 6027.61803316927
t0 6.94110112812778E-7
t1 7.847386865608E-7
t2 8.49821236885364E-7
t3 9.23503826465456E-7
====== 结果输出 ======
文件: 数据文件-1
No 目标 a 计算 a
1 0.598 0.598
2 0.612 0.612
3 0.636 0.636
4 0.66 0.66
模型公式: a = (p/5344.079+5.23156E-7*p/(5344.079*t)+5.23156E-7*7.23603E-11*p/(5344.079*t^2)+5.23156E-7*3.285*(p/5344.079)/(k12*k13*t+5.23156E-7*p/5344.079+k13*t^2))/3.285
a = (p/5344.079+5.23156E-7*p/(5344.079*t)+5.23156E-7*7.23603E-11*p/(5344.079*t^2)+5.23156E-7*3.285*(p/5344.079)/((-30.8828030721688)*(-4289195.3669547)*t+5.23156E-7*p/5344.079+(-4289195.3669547)*t^2))/3.285
模型公式: t = (1+k13*3.285*t/(k12*k13*t+5.23156E-7*p/5344.079+k13*t^2))*(5.23156E-7*p/(5344.079*t)+5.23156E-7*3.285*(p/5344.079)/(k12*k13*t+5.23156E-7*p/5344.079+k13*t^2)+2*5.23156E-7*7.23603E-11*p/(5344.079*t^2)+9.38162E-14/t)
t = (1+(-4289195.3669547)*3.285*t/((-30.8828030721688)*(-4289195.3669547)*t+5.23156E-7*p/5344.079+(-4289195.3669547)*t^2))*(5.23156E-7*p/(5344.079*t)+5.23156E-7*3.285*(p/5344.079)/((-30.8828030721688)*(-4289195.3669547)*t+5.23156E-7*p/5344.079+(-4289195.3669547)*t^2)+2*5.23156E-7*7.23603E-11*p/(5344.079*t^2)+9.38162E-14/t)
迭代数: 26
计算用时(时:分:秒:微秒): 00:00:01:927
优化算法: 通用全局优化算法(UGO1)
计算结束原因: 达到收敛判断标准
均方差(RMSE): 0
残差平方和(SSR): 0
相关系数(R): 1
相关系数之平方(R^2): 1
修正R平方(Adj. R^2): -100
确定系数(DC): 1
参数 最佳估算
-------------------- -------------
k12 -30.8828030721688
k13 -4289195.3669547
t0 1.98782097449534E-9
t1 2.54773452408826E-9
t2 3.15576671056898E-9
t3 3.987183582274E-9
====== 结果输出 ======
文件: 数据文件-1
No 目标 a 计算 a
1 0.538 0.538
2 0.562 0.562
3 0.583 0.583
4 0.598 0.598
模型公式: a = (p/6791.551+4.79116E-7*p/(6791.551*t)+4.79116E-7*7.57401E-11*p/(6791.551*t^2)+4.79116E-7*3.285*(p/6791.551)/(k12*k13*t+4.79116E-7*p/6791.551+k13*t^2))/3.285
a = (p/6791.551+4.79116E-7*p/(6791.551*t)+4.79116E-7*7.57401E-11*p/(6791.551*t^2)+4.79116E-7*3.285*(p/6791.551)/(0*5009.21978072262*t+4.79116E-7*p/6791.551+5009.21978072262*t^2))/3.285
模型公式: t = (1+k13*3.285*t/(k12*k13*t+4.79116E-7*p/6791.551+k13*t^2))*(4.79116E-7*p/(6791.551*t)+4.79116E-7*3.285*(p/6791.551)/(k12*k13*t+4.79116E-7*p/6791.551+k13*t^2)+2*4.79116E-7*7.57401E-11*p/(6791.551*t^2)+2.49148E-13/t)
t = (1+5009.21978072262*3.285*t/(0*5009.21978072262*t+4.79116E-7*p/6791.551+5009.21978072262*t^2))*(4.79116E-7*p/(6791.551*t)+4.79116E-7*3.285*(p/6791.551)/(0*5009.21978072262*t+4.79116E-7*p/6791.551+5009.21978072262*t^2)+2*4.79116E-7*7.57401E-11*p/(6791.551*t^2)+2.49148E-13/t)
迭代数: 24
计算用时(时:分:秒:微秒): 00:00:01:604
优化算法: 通用全局优化算法(UGO1)
计算结束原因: 达到收敛判断标准
均方差(RMSE): 0
残差平方和(SSR): 0
相关系数(R): 1
相关系数之平方(R^2): 1
修正R平方(Adj. R^2): -100
确定系数(DC): 1
参数 最佳估算
-------------------- -------------
k12 0
k13 5009.21978072262
t0 7.51487920320897E-7
t1 8.22783417437169E-7
t2 8.95866448673935E-7
t3 9.913208023056E-7
====== 结果输出 ======
文件: 数据文件-1
No 目标 a 计算 a
1 0.465 0.465
2 0.495 0.495
3 0.517 0.517
4 0.533 0.533
我之前参数没有给范围,所有拟合的结果不好,能重新帮我算一下吗?
第一组数据:
Parameters k12[9.25236E-11,1.13084E-10],k13[2.21332E+08,2.70517E+08]; //拟合有机胺质子化常数,氨基甲酸盐稳定常数
Constant k9=9.92471E-15, k10=4.36826E-07, k11=4.63956E-11, H=3251.622, m=3.285; //离子积,CO2水解,HCO3水解,亨利系数,MEA初始浓度
Variable a,p; //负载,分压为变量
ParVariable t[0.000000000001,0.000001]; //氢离子浓度为参数变量
SharedModel;
Function a=(p/H+k10*p/(H*t)+k10*k11*p/(H*t^2)+k10*m*(p/H)/(k12*k13*t+k10*p/H+k13*t^2))/m;
t=(1+k13*m*t/(k12*k13*t+k10*p/H+k13*t^2))*(k10*p/(H*t)+k10*m*(p/H)/(k12*k13*t+k10*p/H+k13*t^2)+2*k10*k11*p/(H*t^2)+k9/t);
Data;
0.638 34.5
0.667 46.5
0.684 60
0.713 78
第二组数据:
Parameters k12[2.37085E-10,2.89770E-10],k13[1.41991E+08,1.73545E+08]; //拟合有机胺质子化常数,氨基甲酸盐稳定常数
Constant k9=2.86026E-14, k10=5.01604E-07, k11=5.99747E-11, H=4078.309, m=3.285; //离子积,CO2水解,HCO3水解,亨利系数,MEA初始浓度
Variable a,p; //负载,分压为变量
ParVariable t[0.000000000001,0.000001]; //氢离子浓度为参数变量
SharedModel;
Function a=(p/H+k10*p/(H*t)+k10*k11*p/(H*t^2)+k10*m*(p/H)/(k12*k13*t+k10*p/H+k13*t^2))/m;
t=(1+k13*m*t/(k12*k13*t+k10*p/H+k13*t^2))*(k10*p/(H*t)+k10*m*(p/H)/(k12*k13*t+k10*p/H+k13*t^2)+2*k10*k11*p/(H*t^2)+k9/t);
Data;
0.598 34.5
0.612 46.5
0.636 60
0.66 78
第三组数据:
Parameters k12[7.28625E-10,8.90542E-10],k13[8.36054E+07,1.02184E+08]; //拟合有机胺质子化常数,氨基甲酸盐稳定常数
Constant k9=9.38162E-14, k10=5.23156E-07, k11=7.23603E-11, H=5344.079, m=3.285; //离子积,CO2水解,HCO3水解,亨利系数,MEA初始浓度
Variable a,p; //负载,分压为变量
ParVariable t[0.000000000001,0.000001]; //氢离子浓度为参数变量
SharedModel;
Function a=(p/H+k10*p/(H*t)+k10*k11*p/(H*t^2)+k10*m*(p/H)/(k12*k13*t+k10*p/H+k13*t^2))/m;
t=(1+k13*m*t/(k12*k13*t+k10*p/H+k13*t^2))*(k10*p/(H*t)+k10*m*(p/H)/(k12*k13*t+k10*p/H+k13*t^2)+2*k10*k11*p/(H*t^2)+k9/t);
Data;
0.538 34.5
0.562 46.5
0.583 60
0.598 78
第四组数据:
Parameters k12[1.97175E-09,2.40992E-09],k13[5.22724E+07,6.38885E+07]; //拟合有机胺质子化常数,氨基甲酸盐稳定常数
Constant k9=2.49148E-13, k10=4.79116E-07, k11=7.57401E-11, H=6791.551, m=3.285; //离子积,CO2水解,HCO3水解,亨利系数,MEA初始浓度
Variable a,p; //负载,分压为变量
ParVariable t[0.000000000001,0.000001]; //氢离子浓度为参数变量
SharedModel;
Function a=(p/H+k10*p/(H*t)+k10*k11*p/(H*t^2)+k10*m*(p/H)/(k12*k13*t+k10*p/H+k13*t^2))/m;
t=(1+k13*m*t/(k12*k13*t+k10*p/H+k13*t^2))*(k10*p/(H*t)+k10*m*(p/H)/(k12*k13*t+k10*p/H+k13*t^2)+2*k10*k11*p/(H*t^2)+k9/t);
Data;
0.465 34.5
0.495 46.5
0.517 60
0.533 78
,
已经发给你了。