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zhaoshazhu

新虫 (小有名气)

[求助] 求助Matlab

请高手帮我查看一下代码有什么问题,谢谢!下面是我估算出来的初值和残差。但是残差比实验值还要大,代码有问题可以我Matlab不懂,求大神指导。
function DMM170
clear all
clc
k0 = [0.01  0.006 0.01 8  0.6 9  0.8 1 0.3  0.007];
lb = [0 0 0 0 0 0 0 0 0 0];
ub = [inf  inf  inf  inf inf inf inf inf inf inf];

P0 =[0.016664         4.642001         0.340144         0        0        0;
     0.019859         4.576200         0.402387         0        0        0;
     0.024201         4.481438         0.492568         0        0        0;
     0.017000         4.641373         0.340098         0        0        0;
     0.020132         4.575695         0.402343         0        0        0;
     0.024499         4.480897         0.492509         0        0        0;
     0.017128         4.641134         0.340081         0        0        0;
     0.020678         4.574688         0.402254         0        0        0;
     0.025811         4.478524         0.492248         0        0        0;
     0.046146         4.056541         0.891733         0        0        0
];  % 初始分压,MPa

Pi=[0.0052847         4.6395855         0.3479159         0.0037084         0.0032052         0.0003002;
    0.0072011         4.5720394         0.4119683         0.0044129         0.0040198         0.0003585;
    0.0089072         4.4774599         0.5037451         0.0048294         0.0046554         0.0004029;
    0.0049652         4.6375496         0.3490244         0.0032731         0.0047272         0.0004605;
    0.0063178         4.5709579         0.4129024         0.0039176         0.0053778         0.0005265;
    0.0073769         4.4786796         0.5039073         0.0043511         0.0051445         0.0005405;
    0.0040522         4.6367309         0.3498930         0.0030793         0.0057272         0.0005174;
    0.0051847         4.5702655         0.4137574         0.0037354         0.0063233         0.0007336;
    0.0062153         4.4770637         0.5052473         0.0043140         0.0064064         0.0007533;
    0.0191512         4.0567809         0.9105013         0.0078227         0.0050752         0.0006686
];
% 经过Wc/F0后,各物质分压,MPa

% 使用函数lsqnonlin()进行参数估计
opt=optimset('Algorithm','levenberg-marquardt');
[k,resnorm,residual,exitflag,output,lambda,jacobian] = lsqnonlin(@ObjFunc,k0,[],[],opt,P0,Pi);      
ci = nlparci(k,residual,jacobian);

fprintf('\n\n使用函数lsqnonlin()估计得到的参数值为:\n')
fprintf('\tk1 = %.4f ± %.4f\n',k(1),ci(1,2)-k(1))
fprintf('\tk2 = %.4f ± %.4f\n',k(2),ci(2,2)-k(2))
fprintf('\tk3 = %.4f ± %.4f\n',k(3),ci(3,2)-k(3))
fprintf('\tk4 = %.4f ± %.4f\n',k(4),ci(4,2)-k(4))
fprintf('\tk5 = %.4f ± %.4f\n',k(5),ci(5,2)-k(5))
fprintf('\tk6 = %.4f ± %.4f\n',k(6),ci(6,2)-k(6))
fprintf('\tk7 = %.4f ± %.4f\n',k(7),ci(7,2)-k(7))
fprintf('\tk8 = %.4f ± %.4f\n',k(8),ci(8,2)-k(8))
fprintf('\tk9 = %.4f ± %.4f\n',k(9),ci(9,2)-k(9))
fprintf('\tk10 = %.4f ± %.4f\n',k(10),ci(10,2)-k(10))
fprintf('\t残差平方和 = %.4f\n',resnorm)
fprintf('\texitflag = %.4f\n',exitflag)
fprintf('\tresidual = %.4f\n',residual)


% ------------------------------------------------------------------
function f = ObjFunc(k,P0,Pi)           % 目标函数
[m,n] = size(P0);
Pcal = zeros(m,n);
tspan = [0 0.82;
         0 0.97;
         0 1.19;
         0 1.02;
         0 1.21;
         0 1.48;
         0 1.37;
         0 1.62;
         0 1.98;
         0 2.16
];         % 即Wc/F0,g.h/mol
for i = 1:m
[t PP] = ode45(@Euqations,tspan(i,,P0(i,,[],k);
Pcal(i, = PP(end,;
end
f= Pcal-Pi;

% ------------------------------------------------------------------
function dPdt = Euqations(t, P, k)        % here t = Wc / F0
denom = 1+k(4)*P(1)+k(5)*P(3)+k(6)*P(4)+k(7)*P(5)+k(8)*P(6);               % k(4) = KDMM,k(5) = KME ,k(6)=KHPM,k(7)=KPDO,k(8)=KNPA,k(9)=Kp1,k(10)=Kp2
theA =k(4)*(P(1)*P(2)-P(4)*P(3)/k(9)*P(2)) / denom^2;
theB =k(6)*( P(4)*P(2)-P(5)*P(3)/k(10)*P(2))/ denom^2;
theC =k(7)*P(5)*P(2)/denom^2;
r1 = k(1)*theA;
r2 = k(2)*theB;
r3 = k(3)*theC;


dPDMMdt = -r1;
dPHdt = -2*r1-2*r2-r3;   
dPMEdt = r1+r2;
dPHPMdt = r1-r2;
dPPDOdt = r2-r3;
dPNPAdt = r3;

dPdt = [dPDMMdt;dPHdt;dPMEdt;dPHPMdt;dPPDOdt;dPNPAdt];

使用函数lsqnonlin()估计得到的参数值为:
        k1 = 0.0157 ± 5.6278
        k2 = 0.0058 ± 5.8687
        k3 = 0.0098 ± 462.8444
        k4 = 8.0000 ± 2964.0969
        k5 = 0.6002 ± 129.8991
        k6 = 9.0000 ± 8644.0718
        k7 = 0.8000 ± 33677.3330
        k8 = 1.0000 ± 365138.2060
        k9 = 0.2990 ± 15.8150
        k10 = 0.0007 ± 0.2817
        残差平方和 = 0.0026
        exitflag = 4.0000
        residual = 0.0080
        residual = 0.0086
        residual = 0.0103
        residual = 0.0080
        residual = 0.0090
        residual = 0.0113
        residual = 0.0082
        residual = 0.0096
        residual = 0.0125
        residual = 0.0189
        residual = -0.0044
        residual = -0.0041
        residual = -0.0061
        residual = -0.0042
        residual = -0.0049
        residual = -0.0094
        residual = -0.0054
        residual = -0.0073
        residual = -0.0127
        residual = -0.0164
        residual = -0.0044
        residual = -0.0055
        residual = -0.0062
        residual = -0.0049
        residual = -0.0057
        residual = -0.0056
        residual = -0.0049
        residual = -0.0056
        residual = -0.0059
        residual = -0.0107
        residual = -0.0003
        residual = -0.0003
        residual = 0.0002
        residual = 0.0007
        residual = 0.0009
        residual = 0.0014
        residual = 0.0018
        residual = 0.0021
        residual = 0.0027
        residual = 0.0002
        residual = -0.0032
        residual = -0.0040
        residual = -0.0046
        residual = -0.0047
        residual = -0.0054
        residual = -0.0051
        residual = -0.0057
        residual = -0.0063
        residual = -0.0064
        residual = -0.0051
        residual = -0.0003
        residual = -0.0004
        residual = -0.0004
        residual = -0.0005
        residual = -0.0005
        residual = -0.0005
        residual = -0.0005
        residual = -0.0007
        residual = -0.0008
        residual = -0.0007
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