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琚裕波

金虫 (小有名气)

应助: 0 (幼儿园)
金币: 175.1
散金: 10
帖子: 51
在线: 20.7小时
虫号: 2094139
注册: 2012-10-29
性别: GG
专业: 能源化工

[求助] 求助！这个程序错在哪里？1stopt运行不了

Title "Kinetics";
Parameters k1_a,k1_b,k2_a,k2_b,KCO_a,KCO_b,KCO2_a,KCO2_b,KH2_a,KH2_b;  //需要拟合的参数
Variable TT,PP,Nin,yH2in,yCOin,yCO2in,yN2in,yN2out;                   //输入数据
Variable y1[Output],y2[Output];                                     //对比数据
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             //实验平均温度
T=TT(iter)+273.15
P_Ca=PP(iter)/0.101325
//反应平衡常数计算
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))
//逸度系数计算
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)
//吸附平衡常数计算
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))
//反应速率常数计算
KT1=k1_a*Exp(k1_b/8.314/T)
KT2=k2_a*Exp(k2_b/8.314/T)
//反应速率计算
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)
//通过反应速率计算出口CO和CO2组成，其中1.9108为催化剂质量
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
//计算值与输入值进行对比
y1(iter)=yCO
y2(iter)=yCO2
Next
EndProgram;
Data;

[ Last edited by nono2009 on 2013-9-10 at 20:21 ]

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