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Prediction of thermodynamics and fluid-phase behaviour of aqueous solutions of linear, branched, and cyclic amines
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  • Felipe Perdomo,
  • Siti Khalit,
  • Claire Adjiman,
  • Amparo Galindo,
  • George Jackson
Felipe Perdomo
Imperial College London
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Siti Khalit
Imperial College London
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Claire Adjiman
Imperial College London
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Amparo Galindo
Imperial College London
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George Jackson
Imperial College London
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Peer review status:IN REVISION

09 Jun 2020Submitted to AIChE Journal
09 Jun 2020Assigned to Editor
09 Jun 2020Submission Checks Completed
11 Jun 2020Reviewer(s) Assigned
08 Jul 2020Editorial Decision: Revise Minor

Abstract

The SAFT-γ Mie group-contribution equation of state is used to represent the fluid-phase behaviour of aqueous solutions of a variety of linear, branched, and cyclic amines. New group interactions are developed in order to model the mixtures characterised by alkyl primary, secondary, and tertiary amine groups (NH2, NH, N), cyclic secondary and tertiary amine groups (cNH, cN), and cyclohexylamine groups (cCHNH, cCHN). The group-interaction parameters are estimated from appropriate experimental thermodynamic data for pure amines and selected mixtures. The fluid-phase behaviour of these mixtures can then be described over broad ranges of temperature, pressure, and composition. Liquid-liquid equilibria (LLE) bounded by lower critical solution temperatures (LCSTs) have been reported experimentally and are reproduced here with SAFT-γ Mie approach. The main feature of the approach is the ability to represent accurately the experimental data employed in the parameter estimation, a to predict the phase equilibria with the same set of parameters.