.Chemical.Components.Reaction

Information

s₁·S₁ + .. + s_nS·S_nS <-> p₁·P₁ + .. + p_nP·P_nP

By redefinition of stoichometry as v_i = -s_i, A_i = S_i for i=1..nS v_i = p_i-nS, A_i = P_i-nS for i=nS+1..nS+nP

So the reaction can be written also as 0 = ∑ (v_i · A_i)

K = product(a(S).^s) / product( a(P).^s ) = product(a(A).^v)	dissociation constant
Δ_rG = ∑ (v_i · Δ_fG_i) = Δ_rH - T·Δ_rS = -R·T·log(K)	molar Gibb's energy of the reaction
Δ_rH = ∑ (v_i · Δ_fH_i)	molar enthalpy of the reaction
Δ_rS = ∑ (v_i · Δ_fS_i) = k·log(Δ_rω)	molar entropy of the reaction

A_i	i-th substance
v_i	stochiometric coefficients of i-th substance
K	dissociation constant (activity based)
a(A_i)=f_i*x_i	activity of the substance A
f_i	activity coefficient of the substance A
x_i	mole fraction of the substance A
Δ_fH_i	molar enthalpy of formation of i-th substance
Δ_fG_i	molar Gibbs energy of formation of i-th substance
Δ_fS_i	molar entropy of formation of i-th substance
Δ_rω	change of number of microstates of particles by reaction

2013-2020 by Marek Matejak, Charles University, Prague, Czech Republic

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