EventsMOL2NET'23, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 9th ed.
Published
This submission belongs to the session 01. CHEMBIO.INFO-09: Cheminfo., Chemom., Comput. Quantum Chem. & Bioinfo. Congress München, GR-Chapel Hill, USA, 2023. of the event MOL2NET'23, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 9th ed.
Published date
23 Jun, 2023
Academic Editor
author-avatarHumbert G. Díaz
Citation
RUGI VICENTE DEL CASTILLO RUBI, Adonis P Adornado, Allan N Soriano, Prediction of Amine Transformation Products in the Absorption of CO₂ in Ternary Solvent Systems Consisting of Triethanolamine (TEA) / 2-Amino-2-methyl-l-propanol (AMP), Piperazine (PZ), and Water, in Proceedings of MOL2NET'23, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 9th ed., 25 December–31 December 2023, MDPI: Basel, Switzerland
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Prediction of Amine Transformation Products in the Absorption of CO2 in Ternary Solvent Systems Consisting of Triethanolamine (TEA) / 2-Amino-2-methyl-l-propanol (AMP), Piperazine (PZ), and Water

Adonis P Adornado 2
1. Chemical Engineering Department, College of Engineering, Adamson University
2. General Education Department, Colegio de Muntinlupa, Mayor J. Posadas Avenue, Sucat, Muntinlupa City, Philippines
3. Department of Chemical Engineering, Gokongwei College of Engineering, De La Salle University, 2401 Taft Avenue, Manila, Philippines
Abstract

The process of post-combustion amine based CO2 capture relies on large scale use of aqueous amine solutions. In such operations, it is associated with minor release of amine through the cleaned exhaust gas, as degraded solvent, as accidental spills, and amine transformation products in both liquid waste streams and atmosphere along with the treated flue gas. In this regard, it is necessary to study the concentration profiles of the by-products formed in aid of treating liquid waste streams. The present work includes chemistry and reaction mechanism studies of the reaction between CO2 and ternary solvent systems consisting of triethanolamine (TEA) / 2-Amino-2-methyl-l-propanol (AMP), piperazine (PZ), and water. The chemical reactions of CO2 with TEA, a tertiary amine is described by base-catalyzed hydration were carefully derived. The calculation was carried out using the Electrolyte Non-Random Two Liquid (NRTL) model in a rigorous rate-based non-equilibrium process simulation on Aspen Plus® 8.6. The results yield reasonable predictions on product concentration profiles and can be used as reference in future assessment of the by-products formed in CO2 capture using the considered amine solvent system.

Keywords
Carbon dioxide capture
Piperazine
Process simulation
Triethanolamine
Water
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