Detail publikace
A simplified semi-empirical model for modeling of CO2 solubilities in aqueous MDEA and MEA solutions
Guo, L. Wang, Y. Wang, B. Wang, N. Zhang, L. Chen, Y.
Anglický název
A simplified semi-empirical model for modeling of CO2 solubilities in aqueous MDEA and MEA solutions
Typ
článek v časopise ve Web of Science, Jimp
Jazyk
en
Originální abstrakt
A simplified semi-empirical model was developed for modeling of carbon dioxide (CO2) solubility in aqueous solutions of methyldiethanolamine (MDEA) and monoethanolamine (MEA) with a temperature range from 283.15 K to 393.15 K, and alkanolamine molarity (1–5) mol/L. This model accounts for chemical equilibria in the liquid phase and physical equilibria between the liquid and vapor phases, which can calculate the vapor liquid equilibria (VLE) of MDEA+H2O+CO2 system and MEA+H2O+CO2 system. This paper proposes a Simplified Kent-Eisenberg Model (SKEM) to describe the chemical equilibria in amine – acid system, which is built with the conception of ion pairs meets the like-ion repulsion assumption and the local electroneutrality assumption. In the physical equilibria, the Henley coefficient was refitted using a new correlation, which was built with the combinations of sines and cosines. Adjustable parameters of the SKEM model, representing chemical equilibrium constant including activity coefficients, were determined by data regression with 187 sets of data of MDEA+H2O+CO2 system and MEA+H2O+CO2 system. The SKEM model has a good predictive ability, the Absolute Average Relative Deviations (AARD) of predicted results of SKEM model in MDEA+H2O+CO2 system and MEA+H2O+CO2 systems are 13.66% and 8.33%, respectively. © 2021 Elsevier B.V.
Anglický abstrakt
A simplified semi-empirical model was developed for modeling of carbon dioxide (CO2) solubility in aqueous solutions of methyldiethanolamine (MDEA) and monoethanolamine (MEA) with a temperature range from 283.15 K to 393.15 K, and alkanolamine molarity (1–5) mol/L. This model accounts for chemical equilibria in the liquid phase and physical equilibria between the liquid and vapor phases, which can calculate the vapor liquid equilibria (VLE) of MDEA+H2O+CO2 system and MEA+H2O+CO2 system. This paper proposes a Simplified Kent-Eisenberg Model (SKEM) to describe the chemical equilibria in amine – acid system, which is built with the conception of ion pairs meets the like-ion repulsion assumption and the local electroneutrality assumption. In the physical equilibria, the Henley coefficient was refitted using a new correlation, which was built with the combinations of sines and cosines. Adjustable parameters of the SKEM model, representing chemical equilibrium constant including activity coefficients, were determined by data regression with 187 sets of data of MDEA+H2O+CO2 system and MEA+H2O+CO2 system. The SKEM model has a good predictive ability, the Absolute Average Relative Deviations (AARD) of predicted results of SKEM model in MDEA+H2O+CO2 system and MEA+H2O+CO2 systems are 13.66% and 8.33%, respectively. © 2021 Elsevier B.V.
Klíčová slova anglicky
Alkanolamine; Carbon dioxide; Simplified Kent-Eisenberg Model; Vapor-liquid equilibria
Vydáno
01.04.2022
Nakladatel
Elsevier B.V.
ISSN
0378-3812
Číslo
555
Strany od–do
113352–113352
Počet stran
13
BIBTEX
@article{BUT177045,
author="Bohong {Wang},
title="A simplified semi-empirical model for modeling of CO2 solubilities in aqueous MDEA and MEA solutions",
year="2022",
number="555",
month="April",
pages="113352--113352",
publisher="Elsevier B.V.",
issn="0378-3812"
}