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restart;#'therm_eq9.mws'.22-6-00. |
Chapter 9: Set of pre-written equations available.
Nomenclature for a chemical reaction: detailed and global forms
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eq9_1:=Sum(nu1[i]*Comp[i],i=1..C)=Sum(nu2[i]*Comp[i],i=1..C);eq9_2:=0=Sum(nu[i]*Comp[i],i=1..C); |
Definiton of advance of reaction
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eq9_3:=n[i]=n0[i]+nu[i]*xi; |
Definiton of affinity
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eq9_6:=A=-Sum(nu[i]*mu[i],i=1..C); |
Gibbs's function in terms of affinity
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eq9_7:=dG=-S*dT+V*dp-A*dxi; |
Chemical potential mu(T,p,xi)
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eq9_8:=mu[i]=mu[i0T]+R[u]*T*ln(x[i]*p/p0); |
Enthalpy of reaction and similar functions
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eq9_9a:=grR=Sum(nu[i]*g[i],i=1..C);eq9_9b:=hrR=Sum(nu[i]*h[i],i=1..C);eq9_9c:=srR=Sum(nu[i]*s[i],i=1..C);eq9_9d:=vrR=Sum(nu[i]*v[i],i=1..C); |
Relation between Gibbs function of reaction, enthalpy of reaction and entropy of reaction
Definition of the equilibrium constant and its relation to equilibrium concentrations
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eq9_219:=K(T,p0)=A(T,p0,1);eq9_20:=Product(x[Comp[i]]^nu[i],i=1..C)=(p0/p)^Sum(nu[i],i=1..C)*K(T); |
Temperature dependance of the equilibrium constant
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eq9_25:=lnK=(-grR+hrR*(1-T25/T))/(R[u]*T25); |
WARNING. A list of all variables follows, to copy and paste to the save command (after Maple7 there is no saving all). CAUTION: After pasting all, I must MANUALLY delete system variables: like RealRange_...
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#save eq9_1, eq9_10, eq9_2, eq9_20, eq9_219, eq9_25, eq9_3, eq9_6, eq9_7, eq9_8, eq9_9a, eq9_9b ,eq9_9c, eq9_9d, "../therm_eq9.m":` |