24小时热门版块排行榜

返回列表

dragonpu

木虫 (小有名气)

应助: 0 (幼儿园)
金币: 2303.5
红花: 2
帖子: 71
在线: 79.8小时
虫号: 2112311
注册: 2012-11-07
专业: 高分子物理与高分子物理化

[求助] 动力学参数拟合

有哪位大神能够帮我拟合一下动力学参数啊！Matlab程序我编好了，但是结果非常依赖于初值。小弟不胜感激！
动力学方程组：
dy1/dw=-k(1).*exp(-k(2)./(R.*T)).*P.*y(1)-k(3).*exp(-k(4)./(R.*T)).*P.*y(1)-k(7).*exp(-k(8)./(R.*T)).*P.*y(1)-k(9).*exp(-k(10)./(R.*T)).*P.*y(1);
dy2/dw=k(1).*exp(-k(2)./(R.*T)).*P.*y(1)+k(5).*exp(-k(6)./(R.*T)).*P.*y(3);
dy3/dw=k(3).*exp(-k(4)./(R.*T)).*P.*y(1)-k(5).*exp(-k(6)./(R.*T)).*P.*y(3)-k(11).*exp(-k(12)./(R.*T)).*P.*y(3);
dy4/dw=k(7).*exp(-k(8)./(R.*T)).*P.*y(1);
dy5/dw=k(9).*exp(-k(10)./(R.*T)).*P.*y(1)+k(11).*exp(-k(12)./(R.*T)).*P.*y(3);
其中P=100; R=8.314e-3;
k（1）~k（12）为要拟合的参数
y的初值为[0.5 0 0 0 0]
实验数据为
y1=[0.480097655
0.474124441
0.462780469
0.451193215
0.440723531
0.429448481
0.47974112
0.472322212
0.459982252
0.446630481
0.435406437
0.422382655
0.477436093
0.470092739
0.455851064
0.442346819
0.430467491
0.418103342]';
y2=[0.002842264
0.003831889
0.005528585
0.007890192
0.008760934
0.010302604
0.002846129
0.004434475
0.006468111
0.009272929
0.010353186
0.012069968
0.004068987
0.005286294
0.007419716
0.010652046
0.012228119
0.013803879]';
y3=[0.00347535
0.004900899
0.007194984
0.009158732
0.011510271
0.013775715
0.002932906
0.004427726
0.006607841
0.008459383
0.010480658
0.013100752
0.002395948
0.003717976
0.006043769
0.007540305
0.009972262
0.011736397]';
y4=[0.000368155
0.000553876
0.001417951
0.002258876
0.003408988
0.004321705
0.000816502
0.00160397
0.002537401
0.003319669
0.004791179
0.006212197
0.002013246
0.002162904
0.00365511
0.005083102
0.006746324
0.007918681
]';
y5=[0.00146887
0.001936815
0.003335547
0.003735631
0.005773633
0.007057201
0.002564792
0.002891745
0.004969817
0.006502123
0.008844523
0.009879428
0.003020119
0.004579988
0.006845988
0.00900583
0.009735804
0.013336633
]';
yout=[y1;y2;y3;y4;y5];

t=[375
375
375
375
375
375
400
400
400
400
400
400
425
425
425
425
425
425];
T=t+273.15;
w=[2.531646
3.375527
5.063291
6.751055
8.438819
10.12658
2.531646
3.375527
5.063291
6.751055
8.438819
10.12658
2.531646
3.375527
5.063291
6.751055
8.438819
10.12658];

回复此楼

» 猜你喜欢

【复旦大学】二维材料方向招收2026年博士研究生1名已经有0人回复
北京纳米能源与系统研究所王中林院士/曹南颖研究员课题组2026级硕/博/博后招生已经有10人回复
物理学I论文润色/翻译怎么收费? 已经有251人回复
荷兰Utrecht University超快太赫兹光谱王海教授课题招收2026 CSC博士生已经有23人回复
反铁磁体中的磁性切换：两种不同的机制已成功可视化已经有0人回复
求标准粉末衍射卡号 ICDD 01-076-1802 已经有0人回复
新西兰Robinson研究所招收全奖PhD 已经有0人回复
石墨烯转移--二氧化硅衬底石墨烯已经有0人回复

» 本主题相关价值贴推荐，对您同样有帮助:

如何拟合得到动力学模型参数？？已经有3人回复
丙烷催化脱氢制丙烯的动力学研究实验数据怎样拟合得到所需要的参数已经有5人回复
动力学方程参数估计方法已经有14人回复
双相动力学方程已经有3人回复
动力学参数拟合已经有26人回复
matlab 拟合反应动力学参数结果很差。大家帮忙看一下已经有14人回复
matlab 求指点动力学方程拟合过程中导数的获取已经有10人回复
matlab拟合拟均相动力学参数已经有6人回复
最小二乘拟合初值运算时间已经有12人回复
吸附的动力学方程拟合已经有18人回复
固定床中气-固相脱水反应本征动力学已经有5人回复
【讨论】关于腐蚀速度与动力学参数已经有15人回复
origin，sigmaplot等软件自定义曲线拟合（主要是一些动力学方程的模拟）已经有2人回复
求助Origin8.0拟合方程已经有6人回复
【求助】如何从极化曲线求动力学参数已经有7人回复
【求助】求助:如何用origin拟合求腐蚀电流,电位? 已经有13人回复

1楼 2013-01-09 13:07:36

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

dingd

铁杆木虫 (职业作家)

计算强帖: 4
应助: 1641 (讲师)
金币: 15037.3
散金: 101
红花: 234
帖子: 3410
在线: 1223.5小时
虫号: 291104
注册: 2006-10-28

【答案】应助回帖

★ ★
感谢参与，应助指数 +1
csgt0: 金币+2, 谢谢 2013-01-09 16:38:52

1stOpt求解：

CODE:

Constant P=100, R=8.314e-3;

InitialODEValue w=0, y(5)=[0.5,0,0,0,0];

Variable w,y(5),t;

ODEFunction y1'=-k1*exp(-k2/(r*t))*p*y1-k3*exp(-k4/(r*t))*p*y1-k7*exp(-k8/(r*t))*p*y1-k9*exp(-k10/(r*t))*p*y1;

            y2'=k1*exp(-k2/(r*t))*p*y1+k5*exp(-k6/(r*t))*p*y3;

            y3'=k3*exp(-k4/(r*t))*p*y1-k5*exp(-k6/(r*t))*p*y3-k11*exp(-k12/(r*t))*p*y3;

            y4'=k7*exp(-k8/(r*t))*p*y1;

            y5'=k9*exp(-k10/(r*t))*p*y1+k11*exp(-k12/(r*t))*p*y3;

Data;

2.531646,0.480097655,0.002842264,0.00347535,0.000368155,0.00146887,648.15

3.375527,0.474124441,0.003831889,0.004900899,0.000553876,0.001936815,648.15

5.063291,0.462780469,0.005528585,0.007194984,0.001417951,0.003335547,648.15

6.751055,0.451193215,0.007890192,0.009158732,0.002258876,0.003735631,648.15

8.438819,0.440723531,0.008760934,0.011510271,0.003408988,0.005773633,648.15

10.12658,0.429448481,0.010302604,0.013775715,0.004321705,0.007057201,648.15

2.531646,0.47974112,0.002846129,0.002932906,0.000816502,0.002564792,673.15

3.375527,0.472322212,0.004434475,0.004427726,0.00160397,0.002891745,673.15

5.063291,0.459982252,0.006468111,0.006607841,0.002537401,0.004969817,673.15

6.751055,0.446630481,0.009272929,0.008459383,0.003319669,0.006502123,673.15

8.438819,0.435406437,0.010353186,0.010480658,0.004791179,0.008844523,673.15

10.12658,0.422382655,0.012069968,0.013100752,0.006212197,0.009879428,673.15

2.531646,0.477436093,0.004068987,0.002395948,0.002013246,0.003020119,698.15

3.375527,0.470092739,0.005286294,0.003717976,0.002162904,0.004579988,698.15

5.063291,0.455851064,0.007419716,0.006043769,0.00365511,0.006845988,698.15

6.751055,0.442346819,0.010652046,0.007540305,0.005083102,0.00900583,698.15

8.438819,0.430467491,0.012228119,0.009972262,0.006746324,0.009735804,698.15

10.12658,0.418103342,0.013803879,0.011736397,0.007918681,0.013336633,698.15

均方差(RMSE): 0.00515849113704793
残差平方和(SSE): 0.00239490277299019
相关系数(R): 0.999823871742008
相关系数之平方(R^2): 0.999647774505179
决定系数(DC): 0.999850282157082
F统计(F-Statistic): 6.45801799379734

参数最佳估算
-------------------- -------------

k1 4.89399891352048E-6
k2 -10.6601371015196
k3 3.67383743863496E-5
k4 -1.43251983409417
k5 2.79201648997203E-8
k6 -49.2290083090162
k7 3.52249551424626E-6
k8 -10.9413062151302
k9 2.95332341973282E-5
k10 -1.07700586267194
k11 1.05224743887147E-8
k12 2.06702669054423E-8

赞一下

回复此楼

2楼2013-01-09 14:26:53

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

dragonpu

木虫 (小有名气)

应助: 0 (幼儿园)
金币: 2303.5
红花: 2
帖子: 71
在线: 79.8小时
虫号: 2112311
注册: 2012-11-07
专业: 高分子物理与高分子物理化

引用回帖:

2楼: Originally posted by dingd at 2013-01-09 14:26:53
1stOpt求解：

Constant P=100, R=8.314e-3;
InitialODEValue w=0, y(5)=;
Variable w,y(5),t;
ODEFunction y1'=-k1*exp(-k2/(r*t))*p*y1-k3*exp(-k4/(r*t))*p*y1-k7*exp(-k8/(r*t))*p*y1-k9*exp(-k10/(r*t))* ...

数据拟合结果差别太大，不应该有负数啊！不过还是要谢谢楼上这位大哥了！

赞一下

回复此楼

3楼2013-01-09 17:38:27

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖