Can Aspen calculate the solubility of organic compounds in solvents?
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Gentlemen: Can Aspen calculate the solubility of organic compounds in solvents? If possible, a suitable solvent can be selected through calculation.
The solubility cannot be calculated directly, but an equation can be derived by fitting experimental data, and values can be obtained through interpolation and extrapolation.
The solubility cannot be calculated directly, but an equation can be derived by fitting experimental data, and values can be obtained through interpolation and extrapolation.
Yes, binary interaction coefficients are required; some versions of ASPEN have them built in.
Essentially, it’s not a question of whether calculation is possible or not, but rather the accuracy and reliability of the calculation results. This depends on the thermodynamic method chosen, as well as the completeness and reliability of the interaction parameters for key components such as the solvent and solute. Otherwise, even if it can be calculated, the result will have a large deviation – so what practical meaning does that have?
The solubility of salt in water can be calculated, and the results are fairly accurate. But how can one calculate the solubility of solid organic substances in solvents? Liquid organic substances can be taken into account; through liquid-liquid equilibrium, how are solid materials generally handled in Aspen? Are there any relevant references available?
Solids cannot be processed, except for polymers