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zhaoshazhu

新虫 (小有名气)

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虫号: 1812564
注册: 2012-05-12
专业: 环境化工

[求助] 求1stopt指点已有1人参与

下面是我利用低版本的1stopt编写四阶龙格库塔法计算动力学方程，但是程序或许有问题我没有算出结果，请指点；
Title "Kinetics";
//Parameters k1,k2,k3,k4,k5,k6,k7,k8,k9;
//Variable t,F0,F,yH2,yDMM,yMe,yH2in,yDMMin,yMein;
//Variable  y1[output],y2[output],y3[output];
StartProgram  [VB];
Dim iter As  Integer
dim yHPMin As  Double
dim yPDOin As  Double
dim yNPAin As  Double
dim F0 As  Double
dim F As  Double
Dim RK_i As  Integer
Dim h As  Double
Dim i As  Integer
dim j As  Integer
dim c As  Double
dim r1 As  Double
dim r2 As  Double
dim r3 As  Double
dim n_H2 As  Double
dim n_DMM As  Double
dim n_Me As  Double
dim y_H2 As  Double
dim y_DMM As  Double
dim y_Me As  Double
dim y_HPM As  Double
dim y_PDO As  Double
dim y_NPA As  Double
dim k1 As  Double
dim k2 As  Double
dim k3 As  Double
dim k4 As  Double
dim k5 As  Double
dim k6 As  Double
dim k7 As  Double
dim k8 As  Double
dim k9 As  Double
dim Y_Y01 As  Double
dim Y_Y02 As  Double
dim Y_Y03 As  Double
dim Y_Y04 As  Double
dim Y_Y05 As  Double
dim Y_Y06 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 to Datalenth-1
   yHPMin=0
   yPDOin=0
   yNPAin=0
   h=1.0008/20
   Y_Y01=yHPMin
   Y_Y02=yPDOin
   Y_Y03=yNPAin
   Y_Y04=yH2in(iter)
   Y_Y05=yDMMin(inter)
   Y_Y06=yMein(inter)

   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
      For j=1 To 4
            y_HPM=x_x1
            y_PDO=x_x2
            y_NPA=x_x3
            n_H2=F0*yH2- 2*F*(y_HPM+y_PDO+y_NPA )
            n_DMM=F0*yDMM- F*(y_HPM+y_PDO+y_NPA )
            n_Me=F0*yMe+F*(y_HPM+y_PDO)
            y_H2= n_H2/F
            y_DMM= n_DMM/F
            y_ME= n_Me/F
            r1 = k7*k1*k2*y_H2*y_DMM /(1+k1*y_H2+k2*y_DMM+k3*y_Me+k4*y_HPM+k5*y_PDO+k6*y_NPA)^2
            r2 = k8*k1*k4*y_H2*y_HPM/((1+k1*y_H2+k2*y_DMM+k3*y_Me+k4*y_HPM+k5*y_PDO+k6*y_NPA)^2
            r3 = k9*k1*k5*y_H2*y_PDO/((1+k1*y_H2+k2*y_DMM+k3*y_Me+k4*y_HPM+k5*y_PDO+k6*y_NPA)^2
            d_d1 = r1-r2
            d_d2= r2-r3
            d_d3 = r3

            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
   y1(inter)=y_y1
   y2(inter)=y_y2
   y3(inter)=y_y3

Next
EndProgram;
Data;
2.05 0.48911 0.48786 0.92932 0.00258 0.06810 0.000031 0.00116 0.001137
1.37 0.73291 0.73179 0.93029 0.00155 0.06817 0.000078 0.00135 0.000573
1.62 0.61922 0.61815 0.91758 0.00173 0.08068 0.000104 0.00173 0.000475
1.98 0.50545 0.50453 0.89928 0.00187 0.09884 0.000289 0.00236 0.000444
1.21 0.82549 0.82425 0.91772 0.00158 0.08070 0.000414 0.00190 0.000280
1.49 0.67418 0.67281 0.89895 0.00224 0.09881 0.000641 0.00202 0.000292
2.70 0.37162 0.36991 0.81544 0.00531 0.17925 0.001304 0.00232 0.000368
1.02 0.97819 0.97574 0.92936 0.00254 0.06810 0.000206 0.00178 0.000361
0.82 1.22297 1.21986 0.92918 0.00273 0.06809 0.000465 0.00161 0.000189
0.97 1.03243 1.03056 0.91722 0.00213 0.08065 0.000790 0.00138 0.000149
1.19 0.84404 0.84146 0.89756 0.00379 0.09865 0.000972 0.00173 0.000210
2.16 0.46514 0.46287 0.81436 0.00663 0.17902 0.001744 0.00212 0.000349

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