A simplified semi-empirical model for modeling of CO2 solubilities in aqueous MDEA and MEA solutions

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26210%2F22%3APU143876" target="_blank" >RIV/00216305:26210/22:PU143876 - isvavai.cz</a>

Výsledek na webu

<a href="https://www-sciencedirect-com.ezproxy.lib.vutbr.cz/science/article/pii/S0378381221004143" target="_blank" >https://www-sciencedirect-com.ezproxy.lib.vutbr.cz/science/article/pii/S0378381221004143</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.fluid.2021.113352" target="_blank" >10.1016/j.fluid.2021.113352</a>

Jazyk výsledku

angličtina

Název v původním jazyce

A simplified semi-empirical model for modeling of CO2 solubilities in aqueous MDEA and MEA solutions

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

A simplified semi-empirical model for modeling of CO2 solubilities in aqueous MDEA and MEA solutions

Popis výsledku anglicky

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.

Druh

J_SC - Článek v periodiku v databázi SCOPUS

CEP obor

—

OECD FORD obor

20704 - Energy and fuels

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2022

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

FLUID PHASE EQUILIBRIA

ISSN

0378-3812

e-ISSN

1879-0224

Svazek periodika

neuveden

Číslo periodika v rámci svazku

555

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

13

Strana od-do

113352-113352

Kód UT WoS článku

—

EID výsledku v databázi Scopus

2-s2.0-85121305081