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

Research output: Contribution to journalArticlepeer-review

27 Scopus citations


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 languageEnglish
Pages (from-to)3900-3913
Number of pages14
JournalIndustrial and Engineering Chemistry Research
Issue number17
StatePublished - Aug 20 2003


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