.Chemical.Components.Reaction

Information

s1·S1 + .. + snS·SnS <-> p1·P1 + .. + pnP·PnP

By redefinition of stoichometry as vi = -si, Ai = Si for i=1..nS vi = pi-nS, Ai = Pi-nS for i=nS+1..nS+nP

So the reaction can be written also as 0 = ∑ (vi · Ai)

Equilibrium equation

K = product(a(S).^s) / product( a(P).^s ) = product(a(A).^v) 

dissociation constant

ΔrG = ∑ (vi · ΔfGi) = ΔrH - T·ΔrS = -R·T·log(K)

molar Gibb's energy of the reaction

ΔrH = ∑ (vi · ΔfHi)

molar enthalpy of the reaction

ΔrS = ∑ (vi · ΔfSi) = k·logrω)

molar entropy of the reaction

Notations

Ai

i-th substance

vi

stochiometric coefficients of i-th substance

K

dissociation constant (activity based)

a(Ai)=fi*xi

activity of the substance A

fi

activity coefficient of the substance A

xi

mole fraction of the substance A

ΔfHi

molar enthalpy of formation of i-th substance

ΔfGi

molar Gibbs energy of formation of i-th substance

ΔfSi

molar entropy of formation of i-th substance

Δrω

change of number of microstates of particles by reaction

Revisions

2013-2015 by Marek Matejak, Charles University, Prague, Czech Republic


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