Investigation of CO 2 Sorption Mechanisms in Isothermal Columns via Transient Material and Energy Balance PDE Models

Manda Yang, Linxi Wang, Seyed Mehdi Kamali Shahri, Robert Martin Rioux, Jr., Antonios Armaou

Research output: Contribution to journalArticle

Abstract

The behavior of an isothermal packed bed sorption column for CO 2 is investigated based on combined mass spectrometry and calorimetry temporal measurements at different temperatures. The inclusion of the calorimetry data stream at multiple temperatures accentuates the limitations of our previous spatiotemporal model with a simple sorption mechanism to describe the experimental observations. We propose four models, which consider dispersion and convection with different descriptions of the sorption mechanism. The unknown parameters in the models are determined by minimizing the integral in time of the squared difference between model prediction and the experimental measurements. Analyzing the simulation results for thermodynamic consistency and site density, we conclude physical sorption followed by chemical sorption is a probable mechanism to describe the specific experiment data. We also conclude a combination of multiple measurement streams is required to verify the consistency of proposed mechanisms and establish a clear(er) macroscopic description of the underlying physicochemical phenomena.

Original languageEnglish (US)
Pages (from-to)10303-10314
Number of pages12
JournalIndustrial and Engineering Chemistry Research
Volume57
Issue number31
DOIs
StatePublished - Aug 8 2018

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Carbon Monoxide
Energy balance
Sorption
Calorimetry
Packed beds
Mass spectrometry
Thermodynamics
Temperature
Experiments

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Chemical Engineering(all)
  • Industrial and Manufacturing Engineering

Cite this

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title = "Investigation of CO 2 Sorption Mechanisms in Isothermal Columns via Transient Material and Energy Balance PDE Models",
abstract = "The behavior of an isothermal packed bed sorption column for CO 2 is investigated based on combined mass spectrometry and calorimetry temporal measurements at different temperatures. The inclusion of the calorimetry data stream at multiple temperatures accentuates the limitations of our previous spatiotemporal model with a simple sorption mechanism to describe the experimental observations. We propose four models, which consider dispersion and convection with different descriptions of the sorption mechanism. The unknown parameters in the models are determined by minimizing the integral in time of the squared difference between model prediction and the experimental measurements. Analyzing the simulation results for thermodynamic consistency and site density, we conclude physical sorption followed by chemical sorption is a probable mechanism to describe the specific experiment data. We also conclude a combination of multiple measurement streams is required to verify the consistency of proposed mechanisms and establish a clear(er) macroscopic description of the underlying physicochemical phenomena.",
author = "Manda Yang and Linxi Wang and {Kamali Shahri}, {Seyed Mehdi} and {Rioux, Jr.}, {Robert Martin} and Antonios Armaou",
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Investigation of CO 2 Sorption Mechanisms in Isothermal Columns via Transient Material and Energy Balance PDE Models . / Yang, Manda; Wang, Linxi; Kamali Shahri, Seyed Mehdi; Rioux, Jr., Robert Martin; Armaou, Antonios.

In: Industrial and Engineering Chemistry Research, Vol. 57, No. 31, 08.08.2018, p. 10303-10314.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Investigation of CO 2 Sorption Mechanisms in Isothermal Columns via Transient Material and Energy Balance PDE Models

AU - Yang, Manda

AU - Wang, Linxi

AU - Kamali Shahri, Seyed Mehdi

AU - Rioux, Jr., Robert Martin

AU - Armaou, Antonios

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AB - The behavior of an isothermal packed bed sorption column for CO 2 is investigated based on combined mass spectrometry and calorimetry temporal measurements at different temperatures. The inclusion of the calorimetry data stream at multiple temperatures accentuates the limitations of our previous spatiotemporal model with a simple sorption mechanism to describe the experimental observations. We propose four models, which consider dispersion and convection with different descriptions of the sorption mechanism. The unknown parameters in the models are determined by minimizing the integral in time of the squared difference between model prediction and the experimental measurements. Analyzing the simulation results for thermodynamic consistency and site density, we conclude physical sorption followed by chemical sorption is a probable mechanism to describe the specific experiment data. We also conclude a combination of multiple measurement streams is required to verify the consistency of proposed mechanisms and establish a clear(er) macroscopic description of the underlying physicochemical phenomena.

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