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Prediction of the solubility of caffeic acid in water using an activity coefficient model

Solubility of solid compounds is one of the most widely used physicochemical properties in chemical engineering design and experiments. Experimental works for solubility are not always possible because of the small amount of yield available in the phytochemicals extraction. Thus, one interesting per...

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Main Authors: Mat Nor, Mohd. Shukri, Abd. Manan, Zainuddin, Mustaffa, Azizul Azri, Chua, Lee Suan
Format: Conference or Workshop Item
Language:English
Published: 2015
Subjects:
TP Chemical technology
Online Access:http://eprints.utm.my/id/eprint/62007/1/ZainuddinAbdManan2015_PredictionoftheSolubilityofCaffeicAcid.pdf
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spelling my.utm.620072017-05-30T00:22:37Z http://eprints.utm.my/id/eprint/62007/ Prediction of the solubility of caffeic acid in water using an activity coefficient model Mat Nor, Mohd. Shukri Abd. Manan, Zainuddin Mustaffa, Azizul Azri Chua, Lee Suan TP Chemical technology Solubility of solid compounds is one of the most widely used physicochemical properties in chemical engineering design and experiments. Experimental works for solubility are not always possible because of the small amount of yield available in the phytochemicals extraction. Thus, one interesting perspective is the used of thermodynamic models, which are usually employed for predicting the activity coefficients in the case of solid–liquid equilibria (SLE). Phytochemical compound used in this study is caffeic acid where a comparative study of the MPP-UNIFAC and Pharma Modified UNIFAC were used to predict the solubilities of this phytochemical. The performances of these two activity coefficient models were compared using the experimental solubilities data obtained from the literature in the temperature range of 288 to 323 K and were evaluated by analysing the absolute relative errors (ARE) between the experimental and the predicted values. Moreover, the model errors were also discussed according to the functional groups of the molecules and water as the solvent. In general, the MPP UNIFAC showed better accuracy as compared to the Pharma Modified UNIFAC in predicting the solubility of caffeic acid in water. Nevertheless, both models give very poor qualitative predictions. 2015 Conference or Workshop Item PeerReviewed application/pdf en http://eprints.utm.my/id/eprint/62007/1/ZainuddinAbdManan2015_PredictionoftheSolubilityofCaffeicAcid.pdf Mat Nor, Mohd. Shukri and Abd. Manan, Zainuddin and Mustaffa, Azizul Azri and Chua, Lee Suan (2015) Prediction of the solubility of caffeic acid in water using an activity coefficient model. In: The 1st ICRIL-International Conference on Innovation in Science and Technology (IICIST 2015), 20 April, 2015, Kuala Lumpur, Malaysia. http://www.utm.my/iicist/
institution Universiti Teknologi Malaysia
building UTM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Teknologi Malaysia
content_source UTM Institutional Repository
url_provider http://eprints.utm.my/
language English
topic TP Chemical technology
spellingShingle TP Chemical technology
Mat Nor, Mohd. Shukri
Abd. Manan, Zainuddin
Mustaffa, Azizul Azri
Chua, Lee Suan
Prediction of the solubility of caffeic acid in water using an activity coefficient model
description Solubility of solid compounds is one of the most widely used physicochemical properties in chemical engineering design and experiments. Experimental works for solubility are not always possible because of the small amount of yield available in the phytochemicals extraction. Thus, one interesting perspective is the used of thermodynamic models, which are usually employed for predicting the activity coefficients in the case of solid–liquid equilibria (SLE). Phytochemical compound used in this study is caffeic acid where a comparative study of the MPP-UNIFAC and Pharma Modified UNIFAC were used to predict the solubilities of this phytochemical. The performances of these two activity coefficient models were compared using the experimental solubilities data obtained from the literature in the temperature range of 288 to 323 K and were evaluated by analysing the absolute relative errors (ARE) between the experimental and the predicted values. Moreover, the model errors were also discussed according to the functional groups of the molecules and water as the solvent. In general, the MPP UNIFAC showed better accuracy as compared to the Pharma Modified UNIFAC in predicting the solubility of caffeic acid in water. Nevertheless, both models give very poor qualitative predictions.
format Conference or Workshop Item
author Mat Nor, Mohd. Shukri
Abd. Manan, Zainuddin
Mustaffa, Azizul Azri
Chua, Lee Suan
author_facet Mat Nor, Mohd. Shukri
Abd. Manan, Zainuddin
Mustaffa, Azizul Azri
Chua, Lee Suan
author_sort Mat Nor, Mohd. Shukri
title Prediction of the solubility of caffeic acid in water using an activity coefficient model
title_short Prediction of the solubility of caffeic acid in water using an activity coefficient model
title_full Prediction of the solubility of caffeic acid in water using an activity coefficient model
title_fullStr Prediction of the solubility of caffeic acid in water using an activity coefficient model
title_full_unstemmed Prediction of the solubility of caffeic acid in water using an activity coefficient model
title_sort prediction of the solubility of caffeic acid in water using an activity coefficient model
publishDate 2015
url http://eprints.utm.my/id/eprint/62007/1/ZainuddinAbdManan2015_PredictionoftheSolubilityofCaffeicAcid.pdf
http://eprints.utm.my/id/eprint/62007/
http://www.utm.my/iicist/
_version_ 1643655301933563904
score 13.211869

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