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[求助]
麻烦高手指点，不知编程哪里出错，感激不尽，
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% 估计UNIQUAC模型中的参数 % % Author: LI JUAN % $Revision: 1.0 $ $Date: 2016/01/04 $ % % Ref：Measurement and correlation of solubility of dodecanedioic acid in different pure solvents from T = (288.15 to 323.15) K % J. Chem. Thermodynamics 68 (2014) 270–274 % % T = temperature,K % x = the mole fraction % AAD = abs((exp(x(i))-xcal(i))/exp(x(i))) function ff clc Data=[303.15 0.7766 0.02522]; T=Data(:,1); x11=Data(:,2); x12=Data(:,3); x21=1-x11; x22=1-x12; [A,fval]=fminsearch(@func5,[1,1],[],T,x11,x12) function y=func1(A,T,x11) A12=A(1); A21=A(2); r1=2.3144;r2=0.92;q1=2.052;q2=1.4; R=8.314;z=10; x21=1-x11; fai11=x11.*r1./(x11.*r1+x21.*r2); fai21=1-fai11; theta11=x11.*q1./(x11*q1+x21*q2); theta21=1-theta11; l1=z/2*(r1-q1)-(r1-1); l2=z/2*(r2-q2)-(r2-1); tao12=exp(-A12./R./T); tao21=exp(-A21./R./T); gama11=exp(log(fai11./x11)+z/2*q1.*log(theta11./fai11)+fai21.*(l1-r1/r2*l2)... -q1*log(theta11+theta21.*tao21)+theta21*q1.*(tao21./(theta11+theta21.*tao21)-tao12./(theta21+theta11.*tao12))); function y=func2(A,T,x12) A12=A(1); A21=A(2); r1=2.3144;r2=0.92;q1=2.052;q2=1.4; R=8.314;z=10; x22=1-x12; fai12=x12.*r1./(x12.*r1+x22.*r2); fai22=1-fai12; theta12=x12*q1./(x12*q1+x22*q2); theta22=1-theta12; l1=z/2*(r1-q1)-(r1-1); l2=z/2*(r2-q2)-(r2-1); tao12=exp(-A12./R./T); tao21=exp(-A21./R./T); gama12=exp(log(fai12./x12)+z/2*q1.*log(theta12./fai12)+fai22.*(l1-r1/r2*l2)... -q1*log(theta12+theta22.*tao21)+theta22*q1.*(tao21./(theta12+theta22.*tao21)-tao12./(theta22+theta12.*tao12))); function y=func3(A,T,x11) A12=A(1); A21=A(2); r1=2.3144;r2=0.92;q1=2.052;q2=1.4; R=8.314;z=10; x21=1-x11; fai11=x11.*r1./(x11.*r1+x21.*r2); fai21=1-fai11; theta11=x11.*q1./(x11*q1+x21*q2); theta21=1-theta11; l1=z/2*(r1-q1)-(r1-1); l2=z/2*(r2-q2)-(r2-1); tao12=exp(-A12./R./T); tao21=exp(-A21./R./T); gama21=exp(log(fai21./x21)+z/2*q2.*log(theta21./fai21)+fai11.*(l2-r2/r1*l1)... -q2*log(theta21+theta11.*tao12)+theta11*q2.*(tao12./(theta21+theta11.*tao12)-tao21./(theta11+theta21.*tao21))); function y=func4(A,T,x12) A12=A(1); A21=A(2); r1=2.3144;r2=0.92;q1=2.052;q2=1.4; R=8.314;z=10; x22=1-x12; fai12=x12.*r1./(x12.*r1+x22.*r2); fai22=1-fai12; theta12=x12*q1./(x12*q1+x22*q2); theta22=1-theta12; l1=z/2*(r1-q1)-(r1-1); l2=z/2*(r2-q2)-(r2-1); tao12=exp(-A12./R./T); tao21=exp(-A21./R./T); gama22=exp(log(fai22./x22)+z/2*q2.*log(theta22./fai22)+fai12.*(l2-r2/r1*l1)... -q2*log(theta22+theta12.*tao12)+theta12*q2.*(tao12./(theta22+theta12.*tao12)-tao21./(theta12+theta22.*tao21))); function y=func5(A,T,x11,x12) garma11=func1(A,T,x11); garma12=func2(A,T,x12); garma21=func3(A,T,x11); garma22=func4(A,T,x12); x21=1-x11; x22=1-x12; sigma=(x11.*garma11-x12.*garma12).^2+(x21.*garma21-x22.*garma22).^2; y=sigma; format long g |
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2楼2016-01-05 10:43:47