Mathematical modeling of dispersed CO2 dissolution in ionic liquids: Application to carbon capture

Parsa Amin; Alireza Memarian; Eveliina Repo; Martin Andersson; Seyed Soheil Mansouri; Sohrab Zendehboudi; Nima Rezaei

doi:10.1016/j.molliq.2024.124486

Mathematical modeling of dispersed CO₂ dissolution in ionic liquids: Application to carbon capture

Parsa Amin^*, Alireza Memarian, Eveliina Repo, Martin Andersson, Seyed Soheil Mansouri, Sohrab Zendehboudi, Nima Rezaei

^*Corresponding author for this work

Center for Integrative Petroleum Research

Research output: Contribution to journal › Article › peer-review

5 Scopus citations

Abstract

We develope a 2D computational fluid dynamic (CFD) model in COMSOL Multiphysics® to investigate CO₂ absorption in an ionic liquid ([Bmim][TCM]). Factors such as pressure (1–20 bar), temperature (278–330 K), inlet gas velocity (0.0001–1 [Formula presented]), sparger radius to column diameter ratio (0.1–0.5), and column height to diameter ratio (1–3) are investigated. A quadratic model for absorption behavior (p-value < 0.0001 and R² > 0.98) is developed. Four sparger geometries are considered, and the optimal values for column height to diameter and sparger radius to column diameter are estimated. The maximum CO₂ concentration is obtained at a pressure of 18.26 bar, temperature of 309.5 K, velocity of 0.825 [Formula presented], the sparger radius to column diameter of 0.414, and column height to diameter of 2.5.

Original language	English
Article number	124486
Journal	Journal of Molecular Liquids
Volume	402
DOIs	https://doi.org/10.1016/j.molliq.2024.124486
State	Published - 15 May 2024

Bibliographical note

Publisher Copyright:
© 2024 The Author(s)

Keywords

CFD modelling
Carbon capture
Computer-aided design
Ionic liquids
Sparging

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Atomic and Molecular Physics, and Optics
Condensed Matter Physics
Spectroscopy
Physical and Theoretical Chemistry
Materials Chemistry

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

Access to Document

10.1016/j.molliq.2024.124486

Cite this

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title = "Mathematical modeling of dispersed CO2 dissolution in ionic liquids: Application to carbon capture",

abstract = "We develope a 2D computational fluid dynamic (CFD) model in COMSOL Multiphysics{\textregistered} to investigate CO2 absorption in an ionic liquid ([Bmim][TCM]). Factors such as pressure (1–20 bar), temperature (278–330 K), inlet gas velocity (0.0001–1 [Formula presented]), sparger radius to column diameter ratio (0.1–0.5), and column height to diameter ratio (1–3) are investigated. A quadratic model for absorption behavior (p-value < 0.0001 and R2 > 0.98) is developed. Four sparger geometries are considered, and the optimal values for column height to diameter and sparger radius to column diameter are estimated. The maximum CO2 concentration is obtained at a pressure of 18.26 bar, temperature of 309.5 K, velocity of 0.825 [Formula presented], the sparger radius to column diameter of 0.414, and column height to diameter of 2.5.",

keywords = "CFD modelling, Carbon capture, Computer-aided design, Ionic liquids, Sparging",

author = "Parsa Amin and Alireza Memarian and Eveliina Repo and Martin Andersson and Mansouri, \{Seyed Soheil\} and Sohrab Zendehboudi and Nima Rezaei",

note = "Publisher Copyright: {\textcopyright} 2024 The Author(s)",

year = "2024",

month = may,

day = "15",

doi = "10.1016/j.molliq.2024.124486",

language = "English",

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T1 - Mathematical modeling of dispersed CO2 dissolution in ionic liquids

T2 - Application to carbon capture

AU - Amin, Parsa

AU - Memarian, Alireza

AU - Repo, Eveliina

AU - Andersson, Martin

AU - Mansouri, Seyed Soheil

AU - Zendehboudi, Sohrab

AU - Rezaei, Nima

PY - 2024/5/15

Y1 - 2024/5/15

N2 - We develope a 2D computational fluid dynamic (CFD) model in COMSOL Multiphysics® to investigate CO2 absorption in an ionic liquid ([Bmim][TCM]). Factors such as pressure (1–20 bar), temperature (278–330 K), inlet gas velocity (0.0001–1 [Formula presented]), sparger radius to column diameter ratio (0.1–0.5), and column height to diameter ratio (1–3) are investigated. A quadratic model for absorption behavior (p-value < 0.0001 and R2 > 0.98) is developed. Four sparger geometries are considered, and the optimal values for column height to diameter and sparger radius to column diameter are estimated. The maximum CO2 concentration is obtained at a pressure of 18.26 bar, temperature of 309.5 K, velocity of 0.825 [Formula presented], the sparger radius to column diameter of 0.414, and column height to diameter of 2.5.

AB - We develope a 2D computational fluid dynamic (CFD) model in COMSOL Multiphysics® to investigate CO2 absorption in an ionic liquid ([Bmim][TCM]). Factors such as pressure (1–20 bar), temperature (278–330 K), inlet gas velocity (0.0001–1 [Formula presented]), sparger radius to column diameter ratio (0.1–0.5), and column height to diameter ratio (1–3) are investigated. A quadratic model for absorption behavior (p-value < 0.0001 and R2 > 0.98) is developed. Four sparger geometries are considered, and the optimal values for column height to diameter and sparger radius to column diameter are estimated. The maximum CO2 concentration is obtained at a pressure of 18.26 bar, temperature of 309.5 K, velocity of 0.825 [Formula presented], the sparger radius to column diameter of 0.414, and column height to diameter of 2.5.

KW - CFD modelling

KW - Carbon capture

KW - Computer-aided design

KW - Ionic liquids

KW - Sparging

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DO - 10.1016/j.molliq.2024.124486

M3 - Article

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SN - 0167-7322

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JO - Journal of Molecular Liquids

JF - Journal of Molecular Liquids

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