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

27 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

Access to Document

10.1021/ie030112+

Cite this

@article{bb51c8ed32f941a7bb0d845d90ffa825,

title = "A new phase-equilibrium model for simulating industrial nylon-6 production trains",

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.",

author = "Seavey, {Kevin C.} and Khare, {Neeraj P.} and Liu, {Y. A.} and Williams, {Thomas N.} and Chen, {Chau Chyun}",

year = "2003",

month = aug,

day = "20",

doi = "10.1021/ie030112+",

language = "English",

volume = "42",

pages = "3900--3913",

journal = "Industrial and Engineering Chemistry Research",

issn = "0888-5885",

number = "17",

}

TY - JOUR

T1 - A new phase-equilibrium model for simulating industrial nylon-6 production trains

AU - Seavey, Kevin C.

AU - Khare, Neeraj P.

AU - Liu, Y. A.

AU - Williams, Thomas N.

AU - Chen, Chau Chyun

PY - 2003/8/20

Y1 - 2003/8/20

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.

UR - http://www.scopus.com/inward/record.url?scp=0041470350&partnerID=8YFLogxK

U2 - 10.1021/ie030112+

DO - 10.1021/ie030112+

M3 - Article

AN - SCOPUS:0041470350

VL - 42

SP - 3900

EP - 3913

JO - Industrial and Engineering Chemistry Research

JF - Industrial and Engineering Chemistry Research

SN - 0888-5885

IS - 17

ER -

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

Abstract

Access to Document

Other files and links

Fingerprint

Cite this