Practically useful models for kinetics of biodiesel production

We develop four kinetic models of varying complexity for biodiesel production. The models incorporate both transesterification and saponification, thereby making them practically applicable. We then propose an iterative parameter estimation algorithm to identify a prefixed number of significant rate...

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Main Authors: Chhabra, Pulkit, Mosbach, Sebastian, Karimi, Iftekhar A., Kraft, Markus
Other Authors: School of Chemical and Biomedical Engineering
Format: Article
Language:English
Published: 2020
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Online Access:https://hdl.handle.net/10356/143174
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Institution: Nanyang Technological University
Language: English
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spelling sg-ntu-dr.10356-1431742023-12-29T06:48:51Z Practically useful models for kinetics of biodiesel production Chhabra, Pulkit Mosbach, Sebastian Karimi, Iftekhar A. Kraft, Markus School of Chemical and Biomedical Engineering Engineering::Chemical engineering Transesterification Saponification We develop four kinetic models of varying complexity for biodiesel production. The models incorporate both transesterification and saponification, thereby making them practically applicable. We then propose an iterative parameter estimation algorithm to identify a prefixed number of significant rate constants via sensitivity analysis and estimate their kinetic parameters (A and ΔE) using nonlinear regression. Using experimental data on eight different oils, two alcohols, and two catalysts, we show that our models accurately predict the dynamic concentration profiles of various species during the transesterification of oil. Furthermore, we demonstrate the applicability of the best model (based on the values of Mean Absolute Error, Root Mean Square Error, and Akaike Information Criterion) for 11 additional experiments by predicting the final biodiesel properties with significant accuracy. Finally, using N-way ANOVA, we identify the choice of oil, alcohol, and catalyst as the most significant input factors followed by the operating conditions of the reactor. National Research Foundation (NRF) Accepted version This project is funded by the National Research Foundation (NRF), Prime Minister’s Office, Singapore under its Campus for Research Excellence and Technological Enterprise (CREATE) programme. 2020-08-11T01:39:39Z 2020-08-11T01:39:39Z 2019 Journal Article Chhabra, P., Mosbach, S., Karimi, I. A., & Kraft, M. (2019). Practically useful models for kinetics of biodiesel production. ACS Sustainable Chemistry & Engineering, 7(5), 4983-4992. doi:10.1021/acssuschemeng.8b05636 2168-0485 https://hdl.handle.net/10356/143174 10.1021/acssuschemeng.8b05636 2-s2.0-85061545046 5 7 4983 4992 en ACS Sustainable Chemistry and Engineering This document is the Accepted Manuscript version of a Published Work that appeared in final form in ACS Sustainable Chemistry and Engineering, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acssuschemeng.8b05636 application/pdf
institution Nanyang Technological University
building NTU Library
continent Asia
country Singapore
Singapore
content_provider NTU Library
collection DR-NTU
language English
topic Engineering::Chemical engineering
Transesterification
Saponification
spellingShingle Engineering::Chemical engineering
Transesterification
Saponification
Chhabra, Pulkit
Mosbach, Sebastian
Karimi, Iftekhar A.
Kraft, Markus
Practically useful models for kinetics of biodiesel production
description We develop four kinetic models of varying complexity for biodiesel production. The models incorporate both transesterification and saponification, thereby making them practically applicable. We then propose an iterative parameter estimation algorithm to identify a prefixed number of significant rate constants via sensitivity analysis and estimate their kinetic parameters (A and ΔE) using nonlinear regression. Using experimental data on eight different oils, two alcohols, and two catalysts, we show that our models accurately predict the dynamic concentration profiles of various species during the transesterification of oil. Furthermore, we demonstrate the applicability of the best model (based on the values of Mean Absolute Error, Root Mean Square Error, and Akaike Information Criterion) for 11 additional experiments by predicting the final biodiesel properties with significant accuracy. Finally, using N-way ANOVA, we identify the choice of oil, alcohol, and catalyst as the most significant input factors followed by the operating conditions of the reactor.
author2 School of Chemical and Biomedical Engineering
author_facet School of Chemical and Biomedical Engineering
Chhabra, Pulkit
Mosbach, Sebastian
Karimi, Iftekhar A.
Kraft, Markus
format Article
author Chhabra, Pulkit
Mosbach, Sebastian
Karimi, Iftekhar A.
Kraft, Markus
author_sort Chhabra, Pulkit
title Practically useful models for kinetics of biodiesel production
title_short Practically useful models for kinetics of biodiesel production
title_full Practically useful models for kinetics of biodiesel production
title_fullStr Practically useful models for kinetics of biodiesel production
title_full_unstemmed Practically useful models for kinetics of biodiesel production
title_sort practically useful models for kinetics of biodiesel production
publishDate 2020
url https://hdl.handle.net/10356/143174
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