Table 1. Summary of Experimental Conditions for Case Studies 1 and 2^a.

case study	experiment	w10 [102 g g–1]	wsat,10 [102 g g–1]	S0	Tcryst [°C]	Tsat [°C]
1b: threonine in water	I(1)	8.10	7.40	1.09	18	24.5
	II(1)	8.39	7.40	1.14	18	27.5
	III(1)	8.71	7.40	1.17	18	30.5
	IV(1)	8.88	7.40	1.20	18	33
	V(1)	10.14	7.40	1.37	18	44
2c: asparagine monohydrate in water	I(2)	4.56	3.68	1.24	30	35
	II(2)	4.95	3.68	1.34	30	37
	III(2)	5.57	3.68	1.51	30	40
	IV(2)	3.68	2.93	1.26	25	30

^aExperiments I₍₁₎–III₍₁₎ and I₍₂₎–III₍₂₎ were used for parameter estimation. Experiments IV₍₁₎ and V₍₁₎ were used to validate the range of application of the model and experiment IV₍₂₎ to study the influence of temperature in SCM parameters. In case study 1, m_seeds = 1 g and V_L = 0.5 L, and in case study 2, m_seeds = 0.2 g, V_L = 0.2 l. w₁⁰ = initial conc. of target enantiomer (solubility at T_sat); w_sat,1 was calculated from the TPD (Figure 1) using w_α. The initial solution was always racemic (w₁⁰ = w₁₂(T_sat)/2).

^bExperiments simulated with PBM.⁴⁵

^cExperimental procedure described in section 3.2.