The Effect of Temperature on Intermolecular Interaction of Monoethanolamine Absorption Process for CO2 Removal

The Effect of Temperature on Intermolecular Interaction of Monoethanolamine Absorption Process for CO2 Removal

The reversible chemical absorption with an aqueous amine solution is mature and established technology for CO2 capture. The main objective of this study is to investigate the effect of temperature on intermolecular interaction of primary amine and CO2 in absorption process using Molecular Dynamic (M...

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Main Authors: Emyra Ezzaty, Masiren, Noorlisa, Harun, W. H. W., Ibrahim, Fatmawati, Adam
Format: Article
Language:English
English
Published: World Academy of Reseacrh and Publication 2014
Subjects:
TP Chemical technology
Online Access:http://umpir.ump.edu.my/id/eprint/9069/
http://umpir.ump.edu.my/id/eprint/9069/
http://umpir.ump.edu.my/id/eprint/9069/1/The%20effect%20of%20temperature%20on%20intermolecular%20interaction%20of%20monoethanolamine%20absorption%20process%20for%20CO2%20removal.pdf
http://umpir.ump.edu.my/id/eprint/9069/7/The%20effect%20of%20Temperature%20on%20Intermolecular%20Interaction%20of%20Monoethanolamine%20Absorption%20Process%20for%20CO2%20Removal.pdf
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spelling ump-90692018-01-23T05:57:02Z http://umpir.ump.edu.my/id/eprint/9069/ The Effect of Temperature on Intermolecular Interaction of Monoethanolamine Absorption Process for CO2 Removal Emyra Ezzaty, Masiren Noorlisa, Harun W. H. W., Ibrahim Fatmawati, Adam TP Chemical technology The reversible chemical absorption with an aqueous amine solution is mature and established technology for CO2 capture. The main objective of this study is to investigate the effect of temperature on intermolecular interaction of primary amine and CO2 in absorption process using Molecular Dynamic (MD) simulation. The simulation was run under condition NVE (200 ps) and NPT (1 ns) ensemble in Materials Studio 7.0 software. Three different temperature are used; 298K, 313K and 318K. The radial distribution function (RDF) is used to analyze the intermolecular interaction in the system. In binary (MEA+H2O) and tertiary (MEA+H2O+CO2) system, stronger interaction is observed at 318K compared to 298K and 313K. For binary system, the RDF for the (g(r))value of hydrogen bonding is(1.75, 0.96), (1.75,0.82) and (1.75, 0.81) at temperature 318K, 298K and 313K, respectively. The OMEA-HH2Ohydrogen bond has the highest peak of intermolecularinteraction based on RDF plot. The RDF value of hydrogen bonding for tertiary system is (1.75, 2.29),(1.75, 2.04) and (1.75, 1.56) at temperature 318K, 298K and 313K, respectively. The hydrogen bond of MEA+H2O has higher intermolecular interaction compared to Van der Waals bond of MEA+CO2. Due to weak intermolecular interaction between MEA and CO2, physical absorption is not preferable technology used for CO2 removal at low concentration of CO2. Therefore, reactive absorption process which involved reactions between MEA and CO2 is more preferable technology used to increase CO2 removal efficiency World Academy of Reseacrh and Publication 2014 Article PeerReviewed application/pdf en http://umpir.ump.edu.my/id/eprint/9069/1/The%20effect%20of%20temperature%20on%20intermolecular%20interaction%20of%20monoethanolamine%20absorption%20process%20for%20CO2%20removal.pdf application/pdf en http://umpir.ump.edu.my/id/eprint/9069/7/The%20effect%20of%20Temperature%20on%20Intermolecular%20Interaction%20of%20Monoethanolamine%20Absorption%20Process%20for%20CO2%20Removal.pdf Emyra Ezzaty, Masiren and Noorlisa, Harun and W. H. W., Ibrahim and Fatmawati, Adam (2014) The Effect of Temperature on Intermolecular Interaction of Monoethanolamine Absorption Process for CO2 Removal. International Journal of Chemical and Environmental Engineering, 5 (5). pp. 297-300. ISSN 2078-0737 http://www.warponline.org/viewjc.php?id=j1&page_id=23&volume_id=25&content_id=405
repository_type Digital Repository
institution_category Local University
institution Universiti Malaysia Pahang
building UMP Institutional Repository
collection Online Access
language English
English
topic TP Chemical technology
spellingShingle TP Chemical technology
Emyra Ezzaty, Masiren
Noorlisa, Harun
W. H. W., Ibrahim
Fatmawati, Adam
The Effect of Temperature on Intermolecular Interaction of Monoethanolamine Absorption Process for CO2 Removal
description The reversible chemical absorption with an aqueous amine solution is mature and established technology for CO2 capture. The main objective of this study is to investigate the effect of temperature on intermolecular interaction of primary amine and CO2 in absorption process using Molecular Dynamic (MD) simulation. The simulation was run under condition NVE (200 ps) and NPT (1 ns) ensemble in Materials Studio 7.0 software. Three different temperature are used; 298K, 313K and 318K. The radial distribution function (RDF) is used to analyze the intermolecular interaction in the system. In binary (MEA+H2O) and tertiary (MEA+H2O+CO2) system, stronger interaction is observed at 318K compared to 298K and 313K. For binary system, the RDF for the (g(r))value of hydrogen bonding is(1.75, 0.96), (1.75,0.82) and (1.75, 0.81) at temperature 318K, 298K and 313K, respectively. The OMEA-HH2Ohydrogen bond has the highest peak of intermolecularinteraction based on RDF plot. The RDF value of hydrogen bonding for tertiary system is (1.75, 2.29),(1.75, 2.04) and (1.75, 1.56) at temperature 318K, 298K and 313K, respectively. The hydrogen bond of MEA+H2O has higher intermolecular interaction compared to Van der Waals bond of MEA+CO2. Due to weak intermolecular interaction between MEA and CO2, physical absorption is not preferable technology used for CO2 removal at low concentration of CO2. Therefore, reactive absorption process which involved reactions between MEA and CO2 is more preferable technology used to increase CO2 removal efficiency
format Article
author Emyra Ezzaty, Masiren
Noorlisa, Harun
W. H. W., Ibrahim
Fatmawati, Adam
author_facet Emyra Ezzaty, Masiren
Noorlisa, Harun
W. H. W., Ibrahim
Fatmawati, Adam
author_sort Emyra Ezzaty, Masiren
title The Effect of Temperature on Intermolecular Interaction of Monoethanolamine Absorption Process for CO2 Removal
title_short The Effect of Temperature on Intermolecular Interaction of Monoethanolamine Absorption Process for CO2 Removal
title_full The Effect of Temperature on Intermolecular Interaction of Monoethanolamine Absorption Process for CO2 Removal
title_fullStr The Effect of Temperature on Intermolecular Interaction of Monoethanolamine Absorption Process for CO2 Removal
title_full_unstemmed The Effect of Temperature on Intermolecular Interaction of Monoethanolamine Absorption Process for CO2 Removal
title_sort effect of temperature on intermolecular interaction of monoethanolamine absorption process for co2 removal
publisher World Academy of Reseacrh and Publication
publishDate 2014
url http://umpir.ump.edu.my/id/eprint/9069/
http://umpir.ump.edu.my/id/eprint/9069/
http://umpir.ump.edu.my/id/eprint/9069/1/The%20effect%20of%20temperature%20on%20intermolecular%20interaction%20of%20monoethanolamine%20absorption%20process%20for%20CO2%20removal.pdf
http://umpir.ump.edu.my/id/eprint/9069/7/The%20effect%20of%20Temperature%20on%20Intermolecular%20Interaction%20of%20Monoethanolamine%20Absorption%20Process%20for%20CO2%20Removal.pdf
first_indexed 2023-09-18T22:07:14Z
last_indexed 2023-09-18T22:07:14Z
_version_ 1777414790083248128

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