Continuous Cooling Crystallization: Solubility Data Dialog

Variable Definitions, Ranges and Default Values

The following table shows a brief description of the variables appearing in this tab. The table also displays their default values and their generally acceptable range

Variable	Default Value	Range

○ Empirical Solubility Correlation The saturation solubility, S_sat, is calculated by an empirical correlation of the crystallization temperature (T) and the impurity ratio (X_imp) with user-specified coefficients.
○ Theoretical Solubility Correlation The saturation solubility, S_sat, is calculated by a Vant-Hoff type equation
○ MinT (°C) The lower bound of the temperature range the empirical solubility curve is valid.	0
○ MaxT (°C) The higher bound of the temperature range the empirical solubility curve is valid.	150
○ Heat of Fusion (J/kmol) The heat used for the temperature dependence of the theoretical solubility curve.	0.188	Positive
○ Fusion Temperature (°C) The reference temperature for the Heat of Fusion.	201.85	Positive
◙ Constant C The constant term in the theoretical equation for the solubility temperature dependence.	0.0	Positive
◙ Supersaturation Degree The supersaturation degree ΔS = S - S_sat where S and S_sat are the actual solute concentration and the saturation solubility (calculated by the solubility correlation), respectively.	0.0	Positive
◙ Supersaturation Ratio The supersaturation ratio SR = S/S_sat.	0.0	Positive

Symbol Key: ○ User-specified value (always input); ● Calculated value (always output); ◙ Sometimes input, sometimes output

Specification Choices / Comments

The following list describes the available specification choices in this tab; for more details on how these are implemented, see Continuous Cooling Crystallization: Modeling Calculations.

•Empirical Solubility Correlation...

The saturation solubility (either in g solute/100 g solvent or g solute/L solvent) is calculated by an empirical correlation of the form:

eq. (A.294)

where T is the crystallization temperature and X_imp is the mass-based impurity ratio. Notice that SuperPro considers as impurities the components that have been designated as solutes but are not crystallizable. If the crystallization temperature is below the minimum temperature of the applicability range, there is a chance solubility increases with decreasing temperature. In this case, the solubility is estimated with a linear extrapolation based on two values near the low limit.

•Theoretical Solubility Correlation...

The saturation solubility (in mol Crystal/mol Solution) is calculated by a theoretical Vant-Hoff type equation using the heat of fusion ΔH_fand a corresponding reference temperature T_f (melting point). The constant term C_f can either be calculated as C_f = ΔH_f/RT_f or set by the user

eq. (A.295)