Sustainable Separations in the Chemical Engineering Curriculum

Rodgers, Thomas L.

doi:10.1002/9781119740117.ch20

Cited by 1 publication

(1 citation statement)

References 18 publications

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“…Interpolating between tie-lines in a typical ternary phase diagram is usually done graphically. 28 To begin with, a number of existing tie-lines are selected in an interested phase region. A straight line parallel to each axis is drawn through the end point of the first tie-line.…”

Section: ■ Theoretical Backgroundmentioning

confidence: 99%

A Mathematically Simplified Solid–Solid–Liquid Ternary Phase Diagram with Tie-Lines for Early Process Development Validated by Chiral Resolution of Racemic Ibuprofen

Pratama,

Huang,

Lee

2024

Ind. Eng. Chem. Res.

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Predictions of the purity and yield of a solid product by solid−liquid separation, such as reaction crystallization and extraction, can accurately be captured if the solid−solid−liquid ternary phase diagram of the product-impurity-solvent system is available. However, constructing the phase diagram with tie-lines experimentally is tedious, time-consuming, and unsuitable for solvent selection during early process development. In this work, a mathematical model for predicting the purity and yield of a given solvent was developed without the need to establish the full phase diagram. Just by determining a few vital points in the ternary phase diagram, we can rapidly predict the outcome for a given setting by computation, which can speed up the assessment of suitable solvent candidates for early process development significantly. This approach has been validated against the case of chiral resolution of racemic ibuprofen by diastereomeric salt formation with (S)-1phenylethylamine.

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Section: ■ Theoretical Backgroundmentioning

confidence: 99%