s-r-k calculation.txt

基于VB语言编写的热力学性质计算的应用软件（数据库操作）

DIM f(2)!,X(2)!,J(2,2)!

R=8.314
Tc1=33.2
Pc1=1.297
w1=-0.22
P=

X(1)=X1
X(2)=X2

DO WHILE 1

a1 = 0.42748 * R ^ 2 * Tc1 ^ 2 / (Pc1 * 1000000)
b = 0.08664 * R * Tc1 / (Pc1 * 1000000)
m=0.48 + 1.574 * w1 - 0.176 * w1 ^ 2
a2 = (1 +  m*(1 - (X(2) / Tc1) ^ 0.5)) ^ 2
a = a1 * a2
Cp=26.88+4.347*X(2)/1000-0.3265*X(2)^2/1000000
Cpp=4.347/1000-0.653*X(2)/1000000
f(1)=X(1)+(Cp*(X(2)-298.15)-2663.5607)/P
f(2)=X(1)^3-R*X(2)*X(1)^2/P+(a-b*R*X(2)-P*b^2)*X(1)/P-a*b/X(2)

J(1,1)=1
J(1,2)=(X(2)-298.15)*Cpp/P+Cp/P
J(2,1)=3*V^2-2*R*X(1)*X(2)/P+(a-b*R*X(2)-P*b^2)
c=-a1*SQR(a2)*m/Tc1^0.5/X(2)^0.5
J(2,2)=-R*X(1)^2/P+X(1)*(c-b*R)/P+c*b/P
X1=(f(2)*J(1,2)-f(1)*J(2,2))/(J(1,2)*J(2,1)-J(1,1)*J(2,2))
X2=(f(1)*J(2,1)-f(2)*J(1,1))/(J(1,2)*J(2,1)-J(1,1)*J(2,2))

if ABS(X(1)-X1)<0.0001 AND ABS(X(2)-X2)<0.0001 THEN EXIT DO
X(1)=X1:X(2)=X2
LOOP