Table 1.

The results of optimization for scenario A.

	Initial guesses			Optimized values
run	Df (μm2 s-1)	$K_a^{*}$ (s-1)	Kd (s-1)	Df (μm2 s-1)	$K_a^{*}$ (s-1)	Kd (s-1)	Feq	Ceq	tb (ms)	td (ms)	RMSE	R2
1	1.4	0.01	0.24	1.3454	0.0081	0.249	0.9685	0.0315	4016	123450	0.0241	0.9904
2	15	500	86	13.5563	806	83	0.0934	0.9066	12.00	1.2407	0.0233	0.9912
3	10	20	50	1.2689	22.88	538	0.9592	0.0408	1.90	44.00	0.0245	0.9903
4	1.26	3000	5	79.7179	1.06*104	168	0.0156	0.9844	6.00	9.00	0.0236	0.9910
5	12	30	490	1.8558	256	489	0.6564	0.3436	2.00	3.91	0.0244	0.9904
6	1.2	200	49	7.4289	200	42.5	0.1753	0.8247	23.50	5.00	0.0235	0.9911
7	7	2	470	1.2248	4.70	540.72	0.9914	0.0086	1.80	213.00	0.0245	0.993
8	0.7	202	0.047	6.6616	56.362	38.25	0.4043	0.5957	26.10	18.00	0.0235	0.9910
9	1.5	0.001	85	1.2127	7*10-5	91.21	1.000	0.000	11.00	15.00	0.0246	0.9902
10	1.5	0.1	1*10-5	1.2127	0.1874	1*10-5	0.0001	0.9999	200	5336	0.0245	0.9903
11	1.5	1*10-5	1	1.4652	0.1974	2.1902	0.9173	0.0827	456.6	5066	0.0251	0.9900
12	9.2	500	86.4	8.3315	468.56	83.38	0.1511	0.8489	12.00	2.00	0.0234	0.9911
13	25	0.001	100	1.2534	1.3557	44.94	0.9707	0.0293	22.30	738	0.0245	0.9903
14	0.25	0.001	100	1.2236	0.4235	119.71	0.9965	0.0035	8.40	2361	0.0245	0.9903
15	5	400	0.40	10.1911	396.8	56.7	0.1250	0.8750	17.60	2.52	0.0233	0.9911
16	15	4	1400	1.2205	3.81	1389	0.9973	0.0027	7.00	262	0.0245	0.9903
17	4.5	150	385	4.3970	986	380	0.2782	0.7218	2.60	1.00	0.0242	0.9905
18	10	150	385	8.861	2458	396	0.1388	0.8612	2.50	0.40	0.0242	0.9905
19	0.4	0.5	0.003	1.6371	0.5211	3.20	0.86	0.1400	312.50	1919	0.0254	0.9901
20#	-	-	-	9.20	500	86.4	0.1474	0.8526	11.60	2.00	0.0255	0.9886

# These values were obtained by Sprague et al. [14].