A new phase-equilibrium model for simulating industrial nylon-6 production trains

Kevin C. Seavey; Neeraj P. Khare; Y. A. Liu; Thomas N. Williams; Chau Chyun Chen

doi:10.1021/ie030112+

A new phase-equilibrium model for simulating industrial nylon-6 production trains

Kevin C. Seavey, Neeraj P. Khare, Y. A. Liu, Thomas N. Williams, Chau Chyun Chen

Chemical Engineering

Research output: Contribution to journal › Article › peer-review

24 Scopus citations

Abstract

This paper presents a thermodynamically consistent model for the phase equilibrium of water/caprolactam/nylon-6 mixtures, based on the POLYNRTL (polymer nonrandom two-liquid) activity-coefficient model. Our model predicts phase equilibrium for any binary or ternary mixture containing water, ε-caprolactam, and nylon-6 at industrially relevant temperatures and pressures with an average error of 1%. This paper also demonstrates its application to simulate a melt train and a bubble-gas kettle train for industrial production of nylon-6. Prior literature makes simplifying assumptions about liquid-phase (molten polymer) activities of water and ε-caprolactam; these assumptions are shown to be unrealistic.

Original language	English
Pages (from-to)	3900-3913
Number of pages	14
Journal	Industrial and Engineering Chemistry Research
Volume	42
Issue number	17
DOIs	https://doi.org/10.1021/ie030112+
State	Published - Aug 20 2003

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abstract = "This paper presents a thermodynamically consistent model for the phase equilibrium of water/caprolactam/nylon-6 mixtures, based on the POLYNRTL (polymer nonrandom two-liquid) activity-coefficient model. Our model predicts phase equilibrium for any binary or ternary mixture containing water, ε-caprolactam, and nylon-6 at industrially relevant temperatures and pressures with an average error of 1%. This paper also demonstrates its application to simulate a melt train and a bubble-gas kettle train for industrial production of nylon-6. Prior literature makes simplifying assumptions about liquid-phase (molten polymer) activities of water and ε-caprolactam; these assumptions are shown to be unrealistic.",

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AU - Williams, Thomas N.

AU - Chen, Chau Chyun

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N2 - This paper presents a thermodynamically consistent model for the phase equilibrium of water/caprolactam/nylon-6 mixtures, based on the POLYNRTL (polymer nonrandom two-liquid) activity-coefficient model. Our model predicts phase equilibrium for any binary or ternary mixture containing water, ε-caprolactam, and nylon-6 at industrially relevant temperatures and pressures with an average error of 1%. This paper also demonstrates its application to simulate a melt train and a bubble-gas kettle train for industrial production of nylon-6. Prior literature makes simplifying assumptions about liquid-phase (molten polymer) activities of water and ε-caprolactam; these assumptions are shown to be unrealistic.

AB - This paper presents a thermodynamically consistent model for the phase equilibrium of water/caprolactam/nylon-6 mixtures, based on the POLYNRTL (polymer nonrandom two-liquid) activity-coefficient model. Our model predicts phase equilibrium for any binary or ternary mixture containing water, ε-caprolactam, and nylon-6 at industrially relevant temperatures and pressures with an average error of 1%. This paper also demonstrates its application to simulate a melt train and a bubble-gas kettle train for industrial production of nylon-6. Prior literature makes simplifying assumptions about liquid-phase (molten polymer) activities of water and ε-caprolactam; these assumptions are shown to be unrealistic.

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A new phase-equilibrium model for simulating industrial nylon-6 production trains

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