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Data on conceptual design and simulation of reactive distillation process

The simulation of the reactive distillation for the esterification of acetic acid with methanol is carried out using the equilibrium stage model. The pseudo-homogeneous kinetic rate equation is used in equilibrium stage model to perform simulation in Aspen plus Version 7.3. The different parameters...

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Autor principal: Mekala, Mallaiah
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6864169/
https://www.ncbi.nlm.nih.gov/pubmed/31763379
http://dx.doi.org/10.1016/j.dib.2019.104262
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author Mekala, Mallaiah
author_facet Mekala, Mallaiah
author_sort Mekala, Mallaiah
collection PubMed
description The simulation of the reactive distillation for the esterification of acetic acid with methanol is carried out using the equilibrium stage model. The pseudo-homogeneous kinetic rate equation is used in equilibrium stage model to perform simulation in Aspen plus Version 7.3. The different parameters like the reflux ratio, number of stages, feed location of the acetic acid are used to obtain the data of mixture composition and acetic acid conversion. The non-ideal behavior of the system is accounted by NRTL, Wilson and UNIQUAC methods. All the thermodynamic models are able to generate data of compositions very well. The composition profiles with different activity based models compared and there is little deviation of water and methanol mole fractions. The optimum number of stages for the present system is 30 for achieving the higher conversion as well as the purity of the distillate. The optimum reflux ratio is 1.9, feed flow rate of acetic acid and methanol is 10.2 mol/hr, location of acetic acid above the reactive zone and methanol below the reactive zone gives the 99.5% by mole of the methyl acetate and 99% acetic acid conversion.
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spelling pubmed-68641692019-11-22 Data on conceptual design and simulation of reactive distillation process Mekala, Mallaiah Data Brief Chemical Engineering The simulation of the reactive distillation for the esterification of acetic acid with methanol is carried out using the equilibrium stage model. The pseudo-homogeneous kinetic rate equation is used in equilibrium stage model to perform simulation in Aspen plus Version 7.3. The different parameters like the reflux ratio, number of stages, feed location of the acetic acid are used to obtain the data of mixture composition and acetic acid conversion. The non-ideal behavior of the system is accounted by NRTL, Wilson and UNIQUAC methods. All the thermodynamic models are able to generate data of compositions very well. The composition profiles with different activity based models compared and there is little deviation of water and methanol mole fractions. The optimum number of stages for the present system is 30 for achieving the higher conversion as well as the purity of the distillate. The optimum reflux ratio is 1.9, feed flow rate of acetic acid and methanol is 10.2 mol/hr, location of acetic acid above the reactive zone and methanol below the reactive zone gives the 99.5% by mole of the methyl acetate and 99% acetic acid conversion. Elsevier 2019-07-23 /pmc/articles/PMC6864169/ /pubmed/31763379 http://dx.doi.org/10.1016/j.dib.2019.104262 Text en © 2019 Published by Elsevier Inc. http://creativecommons.org/licenses/by-nc-nd/4.0/ This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Chemical Engineering
Mekala, Mallaiah
Data on conceptual design and simulation of reactive distillation process
title Data on conceptual design and simulation of reactive distillation process
title_full Data on conceptual design and simulation of reactive distillation process
title_fullStr Data on conceptual design and simulation of reactive distillation process
title_full_unstemmed Data on conceptual design and simulation of reactive distillation process
title_short Data on conceptual design and simulation of reactive distillation process
title_sort data on conceptual design and simulation of reactive distillation process
topic Chemical Engineering
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6864169/
https://www.ncbi.nlm.nih.gov/pubmed/31763379
http://dx.doi.org/10.1016/j.dib.2019.104262
work_keys_str_mv AT mekalamallaiah dataonconceptualdesignandsimulationofreactivedistillationprocess