SOLUTION_MASTER_SPECIES                            # define quinoline...
 Quin Quin 0 129 129
SOLUTION_SPECIES
 Quin = Quin; -log_k 0
 Quin + H+ = QuinH+; -log_k 4.94

SURFACE_MASTER_SPECIES                             # define absorption into OC..
 Org_c Org_c
SURFACE_SPECIES
 Org_c = Org_c; -log_k 0
 Org_c + Quin = Org_cQuin; -log_k -98.0            # divide K_oc = 100 by 10**100

EXCHANGE_SPECIES
 X- + QuinH+ = XQuinH; -log_k 0                    # equal to K_NaX
END

SOLUTION 1; pH 4.2; Ca 10; Cl 20; Quin 1e-3        # the experimental solutions
SOLUTION 2; pH 7.5; Ca 10; Cl 20; Quin 1e-3
END

USER_PRINT
 -start
 10 K_d_OC = mol("Org_cQuin") / tot("Quin")
 20 K_d_X =  mol("XQuinH") / tot("Quin")
 30 print "pH =",-la("H+"), ". K_d(OC) =",K_d_OC, ". K_d(X) =",K_d_X,\
          ". K_d_tot (L/kg) =", K_d_OC + K_d_X 
 -end
USE solution 1
SURFACE 1; Org_c 0.0024e100 1 1; -equil 1          # sites of Org_c times 10**100
EXCHANGE 1; X 0.084; -equil 1
END
USE solution 2
SURFACE 2; Org_c 0.0024e100 1 1; -equil 2
EXCHANGE 2; X 0.084; -equil 2
END