Chromatographic studies of n-Propyl Propionate: Adsorption equilibrium, modelling and uncertainties determination

Idelfonso B.R. Nogueira; Rui P.V. Faria; Reiner Requião; Hannu Koivisto; Márcio A.F. Martins; Alírio E. Rodrigues; José M. Loureiro; Ana M. Ribeiro

doi:10.1016/j.compchemeng.2018.09.020

Chromatographic studies of n-Propyl Propionate: Adsorption equilibrium, modelling and uncertainties determination

Idelfonso B.R. Nogueira^*
, Rui P.V. Faria
, Reiner Requião
, Hannu Koivisto
, Márcio A.F. Martins
, Alírio E. Rodrigues
, José M. Loureiro
, Ana M. Ribeiro

^*Corresponding author for this work

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

17 Citations (Scopus)

Abstract

The n-Propyl Propionate (ProPro) is a compound that has several possible industrial applications. However, the current production route of this component presents several problems, such as the downstream purification. In this way, chromatographic separation could be an alternative solution to the downstream purification. In this work experimental studies of the ProPro reaction system separation in a chromatographic fixed bed unit packed with Amberlyst 46 were performed. The adsorption equilibrium isotherms and the corresponding Langmuir model parameters were determined. A phenomenological model to represent the process was developed and validated through the experimental data. Meanwhile, it is proposed the characterization of the uncertainties of all steps and its extension to the model prediction, which allowed to estimate the model parameters with a reduced number of experiments, when compared with other reports in the literature; nevertheless, the final results lead to a statistically more reliable model.

Original language	English
Pages (from-to)	371-382
Number of pages	12
Journal	Computers and Chemical Engineering
Volume	119
DOIs	https://doi.org/10.1016/j.compchemeng.2018.09.020
Publication status	Published - 2 Nov 2018
Publication type	A1 Journal article-refereed

Funding

This work was financially supported by: National Council of Technological and Scientific Development (CNPQ – Brazil) under the grant no. 200667/2014-9 of the program Science without Borders, Finnish Foundation for Technology Promotion (Tekniikan Edistämissäätiö), EDUFI Fellowships programme, NORTE-01-0145-FEDER-000006, supported by Norte Portugal Regional Operational Programme (NORTE 2020), under the Portugal 2020 Partnership Agreement, through the European Regional Development Fund (ERDF) and POCI-01-0145-FEDER-006984 – Associate Laboratory LSRE-LCM funded by ERDF through COMPETE2020 - Programa Operacional Competitividade e Internacionalização (POCI) – and by national funds through FCT - Fundação para a Ciência e a Tecnologia.

Keywords

Adsorption equilibrium isotherms
Confidence region
Fixed bed adsorptive unit
n-Propyl Propionate
Particle swarm optimization

Publication forum classification

Publication forum level 1

ASJC Scopus subject areas

General Chemical Engineering
Computer Science Applications

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10.1016/j.compchemeng.2018.09.020

Cite this

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title = "Chromatographic studies of n-Propyl Propionate: Adsorption equilibrium, modelling and uncertainties determination",

abstract = "The n-Propyl Propionate (ProPro) is a compound that has several possible industrial applications. However, the current production route of this component presents several problems, such as the downstream purification. In this way, chromatographic separation could be an alternative solution to the downstream purification. In this work experimental studies of the ProPro reaction system separation in a chromatographic fixed bed unit packed with Amberlyst 46 were performed. The adsorption equilibrium isotherms and the corresponding Langmuir model parameters were determined. A phenomenological model to represent the process was developed and validated through the experimental data. Meanwhile, it is proposed the characterization of the uncertainties of all steps and its extension to the model prediction, which allowed to estimate the model parameters with a reduced number of experiments, when compared with other reports in the literature; nevertheless, the final results lead to a statistically more reliable model.",

keywords = "Adsorption equilibrium isotherms, Confidence region, Fixed bed adsorptive unit, n-Propyl Propionate, Particle swarm optimization",

author = "Nogueira, \{Idelfonso B.R.\} and Faria, \{Rui P.V.\} and Reiner Requi{\~a}o and Hannu Koivisto and Martins, \{M{\'a}rcio A.F.\} and Rodrigues, \{Al{\'i}rio E.\} and Loureiro, \{Jos{\'e} M.\} and Ribeiro, \{Ana M.\}",

year = "2018",

month = nov,

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doi = "10.1016/j.compchemeng.2018.09.020",

language = "English",

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journal = "Computers and Chemical Engineering",

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T2 - Adsorption equilibrium, modelling and uncertainties determination

AU - Nogueira, Idelfonso B.R.

AU - Faria, Rui P.V.

AU - Requião, Reiner

AU - Koivisto, Hannu

AU - Martins, Márcio A.F.

AU - Rodrigues, Alírio E.

AU - Loureiro, José M.

AU - Ribeiro, Ana M.

PY - 2018/11/2

Y1 - 2018/11/2

N2 - The n-Propyl Propionate (ProPro) is a compound that has several possible industrial applications. However, the current production route of this component presents several problems, such as the downstream purification. In this way, chromatographic separation could be an alternative solution to the downstream purification. In this work experimental studies of the ProPro reaction system separation in a chromatographic fixed bed unit packed with Amberlyst 46 were performed. The adsorption equilibrium isotherms and the corresponding Langmuir model parameters were determined. A phenomenological model to represent the process was developed and validated through the experimental data. Meanwhile, it is proposed the characterization of the uncertainties of all steps and its extension to the model prediction, which allowed to estimate the model parameters with a reduced number of experiments, when compared with other reports in the literature; nevertheless, the final results lead to a statistically more reliable model.

AB - The n-Propyl Propionate (ProPro) is a compound that has several possible industrial applications. However, the current production route of this component presents several problems, such as the downstream purification. In this way, chromatographic separation could be an alternative solution to the downstream purification. In this work experimental studies of the ProPro reaction system separation in a chromatographic fixed bed unit packed with Amberlyst 46 were performed. The adsorption equilibrium isotherms and the corresponding Langmuir model parameters were determined. A phenomenological model to represent the process was developed and validated through the experimental data. Meanwhile, it is proposed the characterization of the uncertainties of all steps and its extension to the model prediction, which allowed to estimate the model parameters with a reduced number of experiments, when compared with other reports in the literature; nevertheless, the final results lead to a statistically more reliable model.

KW - Adsorption equilibrium isotherms

KW - Confidence region

KW - Fixed bed adsorptive unit

KW - n-Propyl Propionate

KW - Particle swarm optimization

U2 - 10.1016/j.compchemeng.2018.09.020

DO - 10.1016/j.compchemeng.2018.09.020

M3 - Article

AN - SCOPUS:85054180293

SN - 0098-1354

VL - 119

SP - 371

EP - 382

JO - Computers and Chemical Engineering

JF - Computers and Chemical Engineering

ER -

Chromatographic studies of n-Propyl Propionate: Adsorption equilibrium, modelling and uncertainties determination

Abstract

Funding

Keywords

Publication forum classification

ASJC Scopus subject areas

Access to Document

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