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[ÇóÖú] matlabÈ«¾ÖÓÅ»¯²ÎÊý ÒÑÓÐ2È˲ÎÓë

СµÜÔÚÓÃmatlabÓÅ»¯²ÎÊýµÄʱºòÓöµ½ÁËÒ»¸öÎÊÌ⣬ÎÒÓõÄÊÇfminconº¯Êý£¬µ«ÊÇÒòΪѡ²»µ½ºÏÊʵijõÖµËùÒԵõ½µÄ½á¹û²»ÊǺÜÂúÒ⣬ËùÒÔÏë×ÅÓÃÈ«¾ÖÓÅ»¯µÄËã·¨À´ÊÔһϣ¬Äκβ»Ì«»á£¬Ï£ÍûÂÛ̳ÀïµÄ´óÀÐÃÇ¿´Ò»ÏÂÄܲ»Äܽâ¾öÕâ¸öÎÊÌâ¡£ÎÒÖ±½Ó°Ñ³ÌÐò¸´ÖƵ½ÏÂÃæÁË
clear all
clc
data=[288.05 0.000257 0.3003
293.05 0.000274 0.3003
298.2 0.000281 0.3003
303.25 0.000294 0.3003
308.15 0.000305 0.3003
313.25 0.000326 0.3003
318.2 0.000345 0.3003
323.15 0.00039 0.3003
288.05 0.000493 0.3995
293.05 0.00051 0.3995
298.2 0.000532 0.3995
303.25 0.000562 0.3995
308.15 0.00061 0.3995
313.25 0.000641 0.3995
318.2 0.000698 0.3995
323.15 0.000845 0.3995
288.05 0.000877 0.501
293.05 0.00092 0.501
298.2 0.00099 0.501
303.25 0.00115 0.501
308.15 0.00127 0.501
313.25 0.00139 0.501
318.2 0.00157 0.501
323.15 0.00189 0.501
288.05 0.0016 0.5998
293.05 0.00172 0.5998
298.2 0.00196 0.5998
303.25 0.00232 0.5998
308.15 0.00252 0.5998
313.25 0.00281 0.5998
318.2 0.0032 0.5998
323.15 0.00358 0.5998
288.05 0.00293 0.7009
293.05 0.00309 0.7009
298.2 0.00357 0.7009
303.25 0.00424 0.7009
308.15 0.00474 0.7009
313.25 0.00535 0.7009
318.2 0.00611 0.7009
323.15 0.00711 0.7009
288.05 0.0048 0.8003
293.05 0.00548 0.8003
298.2 0.00638 0.8003
303.25 0.0078 0.8003
308.15 0.00863 0.8003
313.25 0.00988 0.8003
318.2 0.0112 0.8003
323.15 0.0128 0.8003
288.05 0.0103 0.8999
293.05 0.0112 0.8999
298.2 0.0121 0.8999
303.25 0.014 0.8999
308.15 0.0152 0.8999
313.25 0.0173 0.8999
318.2 0.0193 0.8999
323.15 0.022 0.8999];

T=data(:,1);        
xexp=data(:,2);
w=data(:,3);

deltaH=46266;%ÈÛÈÚìÊ
R=8.314;
Tm=532.34;%ÈÛµã
yexp=exp((deltaH./(R.*T)).*(T./Tm-1)-log(xexp));

n=size(T,1);
k0=[-3125.70317518255,-2378.98766584565,5092.47952427953,-718.563001024490,-1495.43799248924,-1965.61341412590,0.899991420305235,0.100010845691102,0.219058309329965];
lb=[-inf -inf -inf -inf -inf -inf 0.1 0.1 0.1];
ub=[inf inf inf inf inf inf 0.9 0.9 0.9];
[k,fval,flag] = fmincon(@myfun,k0,[],[],[],[],lb,ub,[],[],xexp,yexp,T,w,n,R);
display(fval);
display(k);

function f = myfun(k,xexp,yexp,T,w,n,R)
%a12=k(1)
%a21=k(2)
%b12=k(3)
%b21=k(4)
%c12=k(5)
%c21=k(6)
%o=k(7)
%p=k(8)
%q=k(9)
tao12=k(1)./(R*T);
tao21=k(2)./(R*T);
tao13=k(3)./(R*T);
tao31=k(4)./(R*T);
tao23=k(5)./(R*T);
tao32=k(6)./(R*T);
G12=exp(-k(7).*tao12);
G21=exp(-k(7).*tao21);
G23=exp(-k(8).*tao23);
G32=exp(-k(8).*tao32);
G13=exp(-k(9).*tao13);
G31=exp(-k(9).*tao31);
x2=(1-xexp).*w;
x3=(1-xexp).*(1-w);
temp1=x2.*G21+x3.*G32;
temp2=tao21.*G21.*x2+tao31.*G31.*x3;
temp3=(xexp+x2.*G21+x3.*G31).^2;
temp4=tao12.*G12.*(x2.^2);
temp5=G12.*G32.*x2.*x3.*(tao12-tao32);
temp6=(x2+xexp.*G12+x3.*G32).^2;
temp7=tao13.*G13.*(x3.^2);
temp8=G13.*G23.*x2.*x3.*(tao13-tao23);
temp9=(x3+x2.*G23+xexp.*G13).^2;
lngamma1=((temp1.*temp2)./temp3)+((temp4+temp5)./temp6)+((temp7+temp8)./temp9);
ycal=exp(lngamma1);
f=100*sum(abs((yexp-ycal)./(yexp)))./n;
end
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f=100*sum(abs((yexp-ycal)./(yexp)))./n;
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ÒýÓûØÌû:
3Â¥: Originally posted by hzlhm at 2021-09-15 22:37:40
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f=100*sum(abs((yexp-ycal)./(yexp)))./n;
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