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How to formulate equilibria in ChemsimulIn CHEMSIMUL an equilibrium is determined by the rate constants of the forward and backward reactions and not solely by the equilibrium constant. It is sometimes possible to describe acid/base equilibrium with different sets of chemical reactions. For example H2O2 = H[+] + H2O[-] ; k1 H[+] + H2O[-] = H2O2; k2
And
H2O2 + OH[-] = H2O[-] + H2O;k3 H2O[-] + H2O = H2O2 + OH[-];k4 You can use either set of reactions, but do not use both simultaneously. |