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琚裕波金蟲 (小有名氣)
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[求助]
求助!這個程序錯在哪里?1stopt運行不了
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Title "Kinetics"; Parameters k1_a,k1_b,k2_a,k2_b,KCO_a,KCO_b,KCO2_a,KCO2_b,KH2_a,KH2_b; //需要擬合的參數(shù) Variable TT,PP,Nin,yH2in,yCOin,yCO2in,yN2in,yN2out; //輸入數(shù)據(jù) Variable y1[Output],y2[Output]; //對比數(shù)據(jù) StartProgram [VB]; Dim iter As Integer dim TBA As Double dim RCO As Double dim RCO2 As Double Dim KT1 As Double dim KF1 As Double dim KT2 As Double dim KF2 As Double dim KH2 As Double dim KCO As Double dim KCO2 As Double Dim T As Double dim P_Ca As Double Dim fH2 As Double dim fCO2 As Double dim fCO As Double dim fM As Double dim fH2O As Double Dim Beta1 As Double dim Beta2 As Double dim Nt as double dim yCO as double dim yCO2 as double for iter=0 to Datalength-1 TBA=503.2 //實驗平均溫度 T=TT(iter)+273.15 P_Ca=PP(iter)/0.101325 //反應平衡常數(shù)計算 KF1=Exp(13.1652+9203.26/T-5.92839*Ln(T)-0.00352404*T+0.0000102264*T*T-0.00000000769446*T^3+2.38583E-12*T^4)*(0.101325^(-2)) KF2=Exp(1.6654+4553.34/T-2.72613*Ln(T)-0.01422914*T+0.000017206*T*T-0.00000001106294*T^3+3.19698E-12*T^4)*(0.101325^(-2)) //逸度系數(shù)計算 fH2=PP(iter)*yH2in(iter)*Exp((0.110785+35.3324/T-5005.47/(T*T*T)-19.6109*yH2in(iter)/T-20.9799*yH2in(iter)*yH2in(iter)/T)*P_Ca/T) fCO2=PP(iter)*yCO2in(iter)*Exp((-0.343605+428.452/T-69217700/(T*T*T)-327.402*yCO2in(iter)/T-374.954*yCO2in(iter)*yCO2in(iter)/T)*P_Ca/T) fCO=PP(iter)*yCOin(iter)*Exp((-0.093261+189.156/T-399940/(T*T*T)-181.527*yCOin(iter)/T+140.001*yCOin(iter)*yCOin(iter)/T)*P_Ca/T) Beta1=fM/(KF1*fCO*fH2^2) Beta2=fM*fH2O/(KF2*fCO2*fH2^3) //吸附平衡常數(shù)計算 KCO=Exp(KCO_a+KCO_b*(1/T-1/TBA)) KCO2=Exp(KCO2_a+KCO2_b*(1/T-1/TBA)) KH2=Exp(KH2_a+KH2_b*(1/T-1/TBA)) //反應速率常數(shù)計算 KT1=k1_a*Exp(k1_b/8.314/T) KT2=k2_a*Exp(k2_b/8.314/T) //反應速率計算 RCO=KT1*fCO*(fH2^2)*(1-Beta1)/((1+KCO*fCO+KCO2*fCO2+KH2*fH2)^3) RCO2=KT2*fCO2*(fH2^3)*(1-Beta2)/((1+KCO*fCO+KCO2*fCO2+KH2*fH2)^4) //通過反應速率計算出口CO和CO2組成,其中1.9108為催化劑質量 Nt=Nin(iter)*yN2in(iter)/yN2out(iter) yCO=(Nin(iter)*yCOin(iter)-RCO*1.9108)/Nt yCO2=(Nin(iter)*yCO2in(iter)-RCO2*1.9108)/Nt //計算值與輸入值進行對比 y1(iter)=yCO y2(iter)=yCO2 Next EndProgram; Data; [ Last edited by nono2009 on 2013-9-10 at 20:21 ] |

金蟲 (小有名氣)

鐵桿木蟲 (職業(yè)作家)
版主 (知名作家)

金蟲 (小有名氣)
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Title "Kinetics"; Parameters k1_a,k1_b,k2_a,k2_b,KCO_a,KCO_b,KCO2_a,KCO2_b,KH2_a,KH2_b; //需要擬合的參數(shù) Variable TT,PP,Nin,yH2in,yCOin,yCO2in,yN2in,yN2out; //輸入數(shù)據(jù) Variable y1[Output],y2[Output]; //對比數(shù)據(jù) StartProgram [VB]; Dim iter As Integer dim TBA As Double dim RCO As Double dim RCO2 As Double Dim KT1 As Double dim KF1 As Double dim KT2 As Double dim KF2 As Double dim KH2 As Double dim KCO As Double dim KCO2 As Double Dim T As Double dim P_Ca As Double Dim fH2 As Double dim fCO2 As Double dim fCO As Double dim fM As Double dim fH2O As Double Dim Beta1 As Double dim Beta2 As Double dim Nt as double dim yCO as double dim yCO2 as double for iter=0 to Datalength-1 TBA=503.2 //實驗平均溫度 T=TT(iter)+273.15 P_Ca=PP(iter)/0.101325 //反應平衡常數(shù)計算 KF1=Exp(13.1652+9203.26/T-5.92839*Ln(T)-0.00352404*T+0.0000102264*T*T-0.00000000769446*T^3+2.38583E-12*T^4)*(0.101325^(-2)) KF2=Exp(1.6654+4553.34/T-2.72613*Ln(T)-0.01422914*T+0.000017206*T*T-0.00000001106294*T^3+3.19698E-12*T^4)*(0.101325^(-2)) //逸度系數(shù)計算 fH2=PP(iter)*yH2in(iter)*Exp((0.110785+35.3324/T-5005.47/(T*T*T)-19.6109*yH2in(iter)/T-20.9799*yH2in(iter)*yH2in(iter)/T)*P_Ca/T) fCO2=PP(iter)*yCO2in(iter)*Exp((-0.343605+428.452/T-69217700/(T*T*T)-327.402*yCO2in(iter)/T-374.954*yCO2in(iter)*yCO2in(iter)/T)*P_Ca/T) fCO=PP(iter)*yCOin(iter)*Exp((-0.093261+189.156/T-399940/(T*T*T)-181.527*yCOin(iter)/T+140.001*yCOin(iter)*yCOin(iter)/T)*P_Ca/T) Beta1=fM/(KF1*fCO*fH2^2) Beta2=fM*fH2O/(KF2*fCO2*fH2^3) //吸附平衡常數(shù)計算 KCO=Exp(KCO_a+KCO_b*(1/T-1/TBA)) KCO2=Exp(KCO2_a+KCO2_b*(1/T-1/TBA)) KH2=Exp(KH2_a+KH2_b*(1/T-1/TBA)) //反應速率常數(shù)計算 KT1=k1_a*Exp(k1_b/8.314/T) KT2=k2_a*Exp(k2_b/8.314/T) //反應速率計算 RCO=KT1*fCO*(fH2^2)*(1-Beta1)/((1+KCO*fCO+KCO2*fCO2+KH2*fH2)^3) RCO2=KT2*fCO2*(fH2^3)*(1-Beta2)/((1+KCO*fCO+KCO2*fCO2+KH2*fH2)^4) //通過反應速率計算出口CO和CO2組成,其中1.9108為催化劑質量 Nt=Nin(iter)*yN2in(iter)/yN2out(iter) yCO=(Nin(iter)*yCOin(iter)-RCO*1.9108)/Nt yCO2=(Nin(iter)*yCO2in(iter)-RCO2*1.9108)/Nt //計算值與輸入值進行對比 y1(iter)=yCO y2(iter)=yCO2 Next EndProgram; Data; {實驗數(shù)據(jù),順序與前面定義的輸入數(shù)據(jù)+對比數(shù)據(jù)的順序一一對應 例如: 輸入數(shù)據(jù)分別為:溫度、壓力、入口摩爾流量、入口組成(H2,CO,CO2,N2)、出口N2組成 對比數(shù)據(jù)分別為:出口CO組成、出口CO2組成 以下數(shù)據(jù)分別為:溫度、壓力、入口摩爾流量、入口組成(H2,CO,CO2,N2)、出口N2組成,出口CO組成、出口CO2組成 } 201.3 8 0.68 0.7166 0.0998 0.1052 0.0784 0.083 0.0844 0.1034 215.6 8 0.602 0.7397 0.0862 0.0925 0.0816 0.0894 0.0592 0.0888 229.2 8.1 0.772 0.734 0.1028 0.0836 0.0796 0.0932 0.0581 0.0744 244.4 8.1 0.728 0.7229 0.1052 0.0866 0.0853 0.0992 0.064 0.0777 260.7 7.8 0.723 0.7831 0.0723 0.0622 0.0824 0.0899 0.0467 0.0547 199.3 7.1 0.695 0.7397 0.0862 0.0925 0.0816 0.0852 0.0743 0.0901 215 7.1 0.689 0.734 0.1028 0.0836 0.0796 0.0864 0.0772 0.0822 229.8 7.1 0.707 0.7229 0.1052 0.0866 0.0853 0.0986 0.062 0.0817 244.8 7.1 0.722 0.7831 0.0723 0.0622 0.0824 0.09 0.044 0.0564 259.7 7 0.695 0.7166 0.0998 0.1052 0.0784 0.0856 0.0735 0.1044 200.4 6.2 0.738 0.734 0.1028 0.0836 0.0796 0.0831 0.0907 0.0823 215.7 6 0.629 0.7229 0.1052 0.0866 0.0853 0.092 0.0801 0.087 230 6.1 0.697 0.7831 0.0723 0.0622 0.0824 0.09 0.0431 0.0576 245.2 6 0.981 0.7166 0.0998 0.1052 0.0784 0.0865 0.0717 0.1031 260.3 6.1 0.972 0.7397 0.0862 0.0925 0.0816 0.0862 0.0684 0.092 200.1 5 0.704 0.7229 0.1052 0.0866 0.0853 0.0879 0.0962 0.0862 215 5 0.655 0.7831 0.0723 0.0622 0.0824 0.086 0.0578 0.0611 229.5 5 0.765 0.7166 0.0998 0.1052 0.0784 0.0857 0.0711 0.1063 244.6 5 0.739 0.7397 0.0862 0.0925 0.0816 0.0879 0.0624 0.0914 259.8 5 0.648 0.734 0.1028 0.0836 0.0796 0.0841 0.0841 0.0841 |

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