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用1stopt拟合动力学方程参数无法运行，新手不懂如何调试，请求各位高手帮忙，谢谢！ 已有2人参与
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程序是利用龙格库塔法模拟动力学方程的相关参数，我用低版本的软件运行的时候一直报错，一直无法运行，提示我的编写有问题，菜鸟不太懂，希望各位大神帮忙指正，谢谢啦。 下面是程序代码： Title "cyclohexanone"; Parameters k1,E1,k2,E2,kA,EA,kH2,EH2,kCNE,ECNE,kCOL,ECOL,DEN; Variable V0,PP,TT,yAin,yH2in,yArin,yCNEin,yCOLin; Variable yCNE[Output],yCOL[Output]; StartProgram [VB]; Dim iter As Integer Dim N0 As Double Dim RK_i As Integer Dim h As Double Dim i As Integer dim j As Integer dim c As Double dim DM As Double dim RCNE As Double dim RCOL As Double dim yAr As Double dim yA As Double dim yCNE As Double dim yH2 As Double dim yCOL As Double Dim KT1 As Double dim KT2 As Double dim KA As Double dim KH2 As Double dim KCNE As Double dim KCOL As Double Dim T As Double Dim BB As Double Dim pH2 As Double dim pCOL As Double dim pCNE As Double dim pA As Double Dim Y_Y01 As Double Dim Y_Y02 As Double Dim Y_Y03 As Double dim y_y1 As Double dim y_y2 As Double dim y_y3 As Double Dim x_x1 As Double Dim x_x2 As Double Dim x_x3 As Double dim d_d1 As Double dim d_d2 As Double dim d_d3 As Double dim e_e1 As Double dim e_e2 As Double dim e_e3 As Double dim e_e4 As Double dim e_e5 As Double for iter=0 to Datalength-1 N0=V0(iter) h=0.35/20 Y_Y01=yCNEin(iter) Y_Y02=yCOLin(iter) Y_Y03=0 For RK_i=1 to 20 e_e1=0.5 e_e2=0.5 e_e3=1 e_e4=1 e_e5=0.5 x_x1=Y_Y01 x_x2=Y_Y02 x_x3=Y_Y03 y_y1=Y_Y01 y_y2=Y_Y02 y_y3=Y_Y03 For j=1 To 4 yCNE=x_x1 yCOL=x_x2 BB=(1+2*yA)/(1+2*yAin(iter)) yA=BB*(yAin(iter)+yCNEin(iter))-yCNE yH2=BB*(yH2in(iter)+yCOLin(iter)+2yCNEin(iter))-2yCNE-yCOL yAr=BB*yArin(iter) T=TT(iter)+273.15 pA=PP(iter)*yA pH2=PP(iter)*yH2 pCNE=PP(iter)*yCNE pCOL=PP(iter)*yCOL KT1=k1*Exp(-E1/(8.315*T)) KT2=k2*Exp(-E2/(8.315*T)) KA=kA*Exp(-EA/(8.315*T)) KH2=kH2*Exp(-EH2/(8.315*T)) KCNE=kCNE*Exp(-ECNE/(8.315*T)) KCOL=kCOL*Exp(-ECOL/(8.315*T)) DEN=1+KA*PA+KH2*PH2+KCNE*PCNE+KCOL*PCOL RCNE=(KT1*KA*PA*(KH2*PH2)^2)/(DEN^3) RCOL=(KT2*KCNE*PCNE*KH2*PH2)/(DEN^2) DM=(1+2*yCNE)/(N0*(1+2*yCNEin(iter))) d_d1=DM*(1+2*yCNE)*RCNE d_d2=DM*(RCOL+2*yCOL*RCNE) d_d3=1 c=h*d_d1 if j=1 then x_x1=Y_Y01+e_e1*c y_y1=y_y1+e_e2*c/3 elseif j=2 then x_x1=Y_Y01+e_e2*c y_y1=y_y1+e_e3*c/3 elseif j=3 then x_x1=Y_Y01+e_e3*c y_y1=y_y1+e_e4*c/3 elseif j=4 then x_x1=Y_Y01+e_e4*c y_y1=y_y1+e_e5*c/3 end if c=h*d_d2 if j=1 then x_x2=Y_Y02+e_e1*c y_y2=y_y2+e_e2*c/3 elseif j=2 then x_x2=Y_Y02+e_e2*c y_y2=y_y2+e_e3*c/3 elseif j=3 then x_x2=Y_Y02+e_e3*c y_y2=y_y2+e_e4*c/3 elseif j=4 then x_x2=Y_Y02+e_e4*c y_y2=y_y2+e_e5*c/3 end if c=h*d_d3 if j=1 then x_x3=Y_Y03+e_e1*c y_y3=y_y3+e_e2*c/3 elseif j=2 then x_x3=Y_Y03+e_e2*c y_y3=y_y3+e_e3*c/3 elseif j=3 then x_x3=Y_Y03+e_e3*c y_y3=y_y3+e_e4*c/3 elseif j=4 then x_x3=Y_Y03+e_e4*c y_y3=y_y3+e_e5*c/3 end if Next Y_Y01=y_y1 Y_Y02=y_y2 Y_Y03=y_y3 Next yCNE(iter)=y_y1 yCOL(iter)=y_y2 Next EndProgram; Data; 4.06 0.2 120 0.113 0.788 0.099 0.0001 0.0001 0.00796539 7.23E-05 2.03 0.2 120 0.114 0.787 0.099 0.0001 0.0001 0.018276944 0.000165986 1.02 0.2 120 0.117 0.784 0.099 0.0001 0.0001 0.027001782 0.000272745 1.02 0.2 120 0.115 0.786 0.099 0.0001 0.0001 0.028928857 0.000292211 0.51 0.2 120 0.114 0.787 0.099 0.0001 0.0001 0.05419921 0.000602822 1.66 0.2 141 0.133 0.771 0.096 0.0001 0.0001 0.024173136 0.000244173 4.07 0.2 140 0.115 0.787 0.098 0.0001 0.0001 0.018688673 0.000169726 2.04 0.2 140 0.117 0.785 0.098 0.0001 0.0001 0.041576064 0.00041996 1.03 0.2 140 0.127 0.775 0.098 0.0001 0.0001 0.077775178 0.001668313 1.03 0.2 140 0.12 0.781 0.099 0.0001 0.0001 0.067879227 0.000824444 0.52 0.2 141 0.125 0.777 0.098 0.0001 0.0001 0.124489331 0.002152918 4.46 0.2 162 0.122 0.776 0.102 0.0001 0.0001 0.011771229 9.49E-05 3.32 0.2 162 0.121 0.774 0.105 0.0001 0.0001 0.016481008 0.000149676 1.66 0.2 162 0.133 0.771 0.096 0.0001 0.0001 0.039389391 0.000397873 4.08 0.2 161 0.117 0.784 0.099 0.0001 0.0001 0.035950835 0.000326496 2.05 0.2 161 0.12 0.781 0.099 0.0001 0.0001 0.071190475 0.000791805 1.04 0.2 161 0.137 0.766 0.097 0.0001 0.0001 0.137103964 0.002229333 1.04 0.2 161 0.132 0.771 0.097 0.0001 0.0001 0.134541091 0.00218766 4.45 0.2 182 0.119 0.778 0.103 0.0001 0.0001 0.018492489 0.000149133 3.32 0.2 182 0.122 0.772 0.106 0.0001 0.0001 0.029740384 0.000270094 1.66 0.2 182 0.13 0.773 0.097 0.0001 0.0001 0.060335598 0.000671073 4.09 0.2 181 0.12 0.782 0.098 0.0001 0.0001 0.058478171 0.000590689 2.06 0.2 181 0.126 0.777 0.097 0.0001 0.0001 0.107592821 0.001527687 1.05 0.2 181 0.141 0.763 0.096 0.0001 0.0001 0.186241228 0.006156735 1.05 0.2 182 0.142 0.762 0.096 0.0001 0.0001 0.183768277 0.005488445 1.04 0.2 181 0.138 0.766 0.096 0.0001 0.0001 0.179658491 0.005747588 1.04 0.2 182 0.136 0.767 0.097 0.0001 0.0001 0.176490707 0.005458475 文件中是我需要模拟的动力学方程 |
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2017-01-10 14:23:50, 13.85 K
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