termohim

global ko1,ko2,ko3,ko4,dH,dS,da,k1,k2,k3,db,dc,dcc,t,kk,dG,u0,u1,u2,u3,dgt,kp

procedure main()
k1:=1e-3
k2:=1e-6
k3:=1e5
write("-- Termohim v 1.0 --")
write("Write your koefficient sequentally...")
write("\n\n")

write(" -- Koefficient -- ")
ko1:=read()
ko2:=read()
ko3:=read()
ko4:=read()
write("\n")

write(" -- Entalpy -- ")
dH:=delta()
write("delta H = ",dH,"\n")

write(" -- Entropy -- ")
dS:=delta()
write("delta S = ",dS,"\n")

write(" -- a -- ")
da:=delta()
write("delta a = ",da,"\n")

write(" -- b -- ")
db:=delta()*k1
write("delta b = ",db,"\n")

write(" -- c -- ")
dc:=delta()*k2
write("delta c = ",dc,"\n")

write(" -- c strike -- ")
dcc:=delta()*k3
write("delta c strike = ",dcc,"\n")

write(" -- Temperature -- ")
t:=read()
write("\n")

write(" -- dH,where T = ",t," --")
kk:=kirhgoff()
write("delta H = ",kk,"\n")

write(" -- Gibbs energy --")
dG:=gibbs()
write("delta G = ",dG,"\n")

write(" -- Temkin-Shwarcman method -- ")
u0:=read()
u1:=read()
u2:=read()
u3:=read()
dgt:=temkin()
write("delta G = ",dgt,"\n")

write("-- Kp -- ")
kp:=balance()
write("Kp = ",kp," \n")

delay(100000)
end

procedure delta()
w:=read()
x:=read()
y:=read()
z:=read()
return ((ko3*y)+(ko4*z))-((ko1*w)+(ko2*x))
end

procedure kirhgoff()
local q1,q2,q3,q4,q5
q1:=dH*1000
q2:=da*(t-298.0)
q3:=(db/2.0)*((t^2)-(298^2))
q4:=(dc/3.0)*((t^3)-(298^3))
q5:=dcc*((1.0/t)-(1.0/298.0))
return (q1+q2+q3+q4-q5)/1000
end

procedure gibbs()
return (dH*1000)-(298*dS)
end

procedure temkin()
return (dH*1000)-(t*dS)-t*(u0*da+u1*db+u2*dc+u3*dcc)
end

procedure balance()
return exp(dgt/(-8.314*t))
end