Intermolecular Interaction of Monoethanolamine, Diethanolamine, Methyl diethanolamine, 2-Amino-2-methyl-1-propanol and Piperazine Amines in Absorption Process to Capture CO2 using Molecular Dynamic Simulation Approach

Intermolecular Interaction of Monoethanolamine, Diethanolamine, Methyl diethanolamine, 2-Amino-2-methyl-1-propanol and Piperazine Amines in Absorption Process to Capture CO2 using Molecular Dynamic Simulation Approach

Many active researches struggle to identify a solution towards problem of effect excessive CO2 emission in atmosphere. Global warming effect happen when there has excess of CO2 percentage in atmosphere. Amine-based absorption process technology is selected in this work because their efficiency to c...

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Main Authors: Emyra Ezzaty, Masiren, Noorlisa, Harun, Wan Hanisah, Wan Ibrahim, Fatmawati, Adam
Format: Conference or Workshop Item
Language:English
Published: Universiti Malaysia Pahang 2016
Subjects:
QD Chemistry
Online Access:http://umpir.ump.edu.my/id/eprint/15835/
http://umpir.ump.edu.my/id/eprint/15835/
http://umpir.ump.edu.my/id/eprint/15835/1/P053%20pg385-397.pdf
id ump-15835
recordtype eprints
spelling ump-158352018-07-26T04:00:16Z http://umpir.ump.edu.my/id/eprint/15835/ Intermolecular Interaction of Monoethanolamine, Diethanolamine, Methyl diethanolamine, 2-Amino-2-methyl-1-propanol and Piperazine Amines in Absorption Process to Capture CO2 using Molecular Dynamic Simulation Approach Emyra Ezzaty, Masiren Noorlisa, Harun Wan Hanisah, Wan Ibrahim Fatmawati, Adam QD Chemistry Many active researches struggle to identify a solution towards problem of effect excessive CO2 emission in atmosphere. Global warming effect happen when there has excess of CO2 percentage in atmosphere. Amine-based absorption process technology is selected in this work because their efficiency to capture CO2 up to 90%. The aim of this paper is to study intermolecular interaction of MEA, DEA, MDEA, AMP and PZ amines based absorption process to capture CO2 using molecular dynamic (MD) simulation. MD simulation was run under condition 313K and 1 atm. It used NVE ensemble at 200ps and NVT ensemble at 1ns. The results were interpreted in term of intermolecular interaction by using Radial Distribution Function (RDF) analysis. It was found that AMP solvent shows the highest tendency to make intermolecular interaction with H2O and CO2 compared to MEA, DEA, MDEA and PZ. MDEA has the weakest intermolecular interaction with CO2 among others. Thus it is required that MDEA to blend with promoter or other amine for enhance the reaction with CO2. The blend of conventional amine i.e. MEA, DEA and MDEA with activator amine is expecting to increase CO2 absorption capacity and reduce heat regeneration requirement. Universiti Malaysia Pahang 2016 Conference or Workshop Item PeerReviewed application/pdf en http://umpir.ump.edu.my/id/eprint/15835/1/P053%20pg385-397.pdf Emyra Ezzaty, Masiren and Noorlisa, Harun and Wan Hanisah, Wan Ibrahim and Fatmawati, Adam (2016) Intermolecular Interaction of Monoethanolamine, Diethanolamine, Methyl diethanolamine, 2-Amino-2-methyl-1-propanol and Piperazine Amines in Absorption Process to Capture CO2 using Molecular Dynamic Simulation Approach. In: Proceedings of The National Conference for Postgraduate Research (NCON-PGR 2016), 24-25 September 2016 , Universiti Malaysia Pahang (UMP), Pekan, Pahang. pp. 385-397.. http://ee.ump.edu.my/ncon/wp-content/uploads/2016/10/Proceeding-NCON-PGR-2016.zip
repository_type Digital Repository
institution_category Local University
institution Universiti Malaysia Pahang
building UMP Institutional Repository
collection Online Access
language English
topic QD Chemistry
spellingShingle QD Chemistry
Emyra Ezzaty, Masiren
Noorlisa, Harun
Wan Hanisah, Wan Ibrahim
Fatmawati, Adam
Intermolecular Interaction of Monoethanolamine, Diethanolamine, Methyl diethanolamine, 2-Amino-2-methyl-1-propanol and Piperazine Amines in Absorption Process to Capture CO2 using Molecular Dynamic Simulation Approach
description Many active researches struggle to identify a solution towards problem of effect excessive CO2 emission in atmosphere. Global warming effect happen when there has excess of CO2 percentage in atmosphere. Amine-based absorption process technology is selected in this work because their efficiency to capture CO2 up to 90%. The aim of this paper is to study intermolecular interaction of MEA, DEA, MDEA, AMP and PZ amines based absorption process to capture CO2 using molecular dynamic (MD) simulation. MD simulation was run under condition 313K and 1 atm. It used NVE ensemble at 200ps and NVT ensemble at 1ns. The results were interpreted in term of intermolecular interaction by using Radial Distribution Function (RDF) analysis. It was found that AMP solvent shows the highest tendency to make intermolecular interaction with H2O and CO2 compared to MEA, DEA, MDEA and PZ. MDEA has the weakest intermolecular interaction with CO2 among others. Thus it is required that MDEA to blend with promoter or other amine for enhance the reaction with CO2. The blend of conventional amine i.e. MEA, DEA and MDEA with activator amine is expecting to increase CO2 absorption capacity and reduce heat regeneration requirement.
format Conference or Workshop Item
author Emyra Ezzaty, Masiren
Noorlisa, Harun
Wan Hanisah, Wan Ibrahim
Fatmawati, Adam
author_facet Emyra Ezzaty, Masiren
Noorlisa, Harun
Wan Hanisah, Wan Ibrahim
Fatmawati, Adam
author_sort Emyra Ezzaty, Masiren
title Intermolecular Interaction of Monoethanolamine, Diethanolamine, Methyl diethanolamine, 2-Amino-2-methyl-1-propanol and Piperazine Amines in Absorption Process to Capture CO2 using Molecular Dynamic Simulation Approach
title_short Intermolecular Interaction of Monoethanolamine, Diethanolamine, Methyl diethanolamine, 2-Amino-2-methyl-1-propanol and Piperazine Amines in Absorption Process to Capture CO2 using Molecular Dynamic Simulation Approach
title_full Intermolecular Interaction of Monoethanolamine, Diethanolamine, Methyl diethanolamine, 2-Amino-2-methyl-1-propanol and Piperazine Amines in Absorption Process to Capture CO2 using Molecular Dynamic Simulation Approach
title_fullStr Intermolecular Interaction of Monoethanolamine, Diethanolamine, Methyl diethanolamine, 2-Amino-2-methyl-1-propanol and Piperazine Amines in Absorption Process to Capture CO2 using Molecular Dynamic Simulation Approach
title_full_unstemmed Intermolecular Interaction of Monoethanolamine, Diethanolamine, Methyl diethanolamine, 2-Amino-2-methyl-1-propanol and Piperazine Amines in Absorption Process to Capture CO2 using Molecular Dynamic Simulation Approach
title_sort intermolecular interaction of monoethanolamine, diethanolamine, methyl diethanolamine, 2-amino-2-methyl-1-propanol and piperazine amines in absorption process to capture co2 using molecular dynamic simulation approach
publisher Universiti Malaysia Pahang
publishDate 2016
url http://umpir.ump.edu.my/id/eprint/15835/
http://umpir.ump.edu.my/id/eprint/15835/
http://umpir.ump.edu.my/id/eprint/15835/1/P053%20pg385-397.pdf
first_indexed 2023-09-18T22:20:56Z
last_indexed 2023-09-18T22:20:56Z
_version_ 1777415651862773760

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