Separation of CO2/CH4 mixtures over NH2-MIL-53-An experimental and modelling study

Pablo Serra-Crespo; Rob Berger; Wenping Yang; Jorge Gascon Sabate; Freek Kapteijn

doi:10.1016/j.ces.2014.10.028

Separation of CO₂/CH₄ mixtures over NH₂-MIL-53-An experimental and modelling study

Pablo Serra-Crespo^*, Rob Berger, Wenping Yang, Jorge Gascon Sabate, Freek Kapteijn

^*Corresponding author for this work

Physical Sciences and Engineering

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

31 Scopus citations

Abstract

A combined experimental and simulation study for the separation of carbon dioxide and methane mixtures using NH₂-MIL-53(Al) as adsorbent is presented. A fixed-bed model has been applied to simulate binary breakthrough experiments obtained in small lab-scale equipment (10cm column, 1/4″ in diameter, 800mg sample). A mixed Langmuir/Langmuir-Freundlich isotherm is used to capture the temperature dependence of the two-step isotherm and a linear driving force model to capture diffusion in the MOF crystals. The model is able to describe the experimental breakthrough data at 273K over a pressure range of 1 to 20bar. Displacement of methane by carbon dioxide, a large apparent roll-up effect, heats of adsorption and dispersion phenomena have been quantified taking into account post-column volumes often present in lab-scale equipment. The heat effects result in a maximum local temperature rise up to 20K.

Original language	English (US)
Pages (from-to)	96-108
Number of pages	13
Journal	CHEMICAL ENGINEERING SCIENCE
Volume	124
DOIs	https://doi.org/10.1016/j.ces.2014.10.028
State	Published - Mar 3 2015

Keywords

Breakthrough
Carbon dioxide separation
Gas separation
MIL-53
MOFs
Modelling

ASJC Scopus subject areas

General Chemistry
General Chemical Engineering
Industrial and Manufacturing Engineering

Access to Document

10.1016/j.ces.2014.10.028

Cite this

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title = "Separation of CO2/CH4 mixtures over NH2-MIL-53-An experimental and modelling study",

abstract = "A combined experimental and simulation study for the separation of carbon dioxide and methane mixtures using NH2-MIL-53(Al) as adsorbent is presented. A fixed-bed model has been applied to simulate binary breakthrough experiments obtained in small lab-scale equipment (10cm column, 1/4″ in diameter, 800mg sample). A mixed Langmuir/Langmuir-Freundlich isotherm is used to capture the temperature dependence of the two-step isotherm and a linear driving force model to capture diffusion in the MOF crystals. The model is able to describe the experimental breakthrough data at 273K over a pressure range of 1 to 20bar. Displacement of methane by carbon dioxide, a large apparent roll-up effect, heats of adsorption and dispersion phenomena have been quantified taking into account post-column volumes often present in lab-scale equipment. The heat effects result in a maximum local temperature rise up to 20K.",

keywords = "Breakthrough, Carbon dioxide separation, Gas separation, MIL-53, MOFs, Modelling",

author = "Pablo Serra-Crespo and Rob Berger and Wenping Yang and {Gascon Sabate}, Jorge and Freek Kapteijn",

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AU - Serra-Crespo, Pablo

AU - Berger, Rob

AU - Yang, Wenping

AU - Gascon Sabate, Jorge

AU - Kapteijn, Freek

PY - 2015/3/3

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AB - A combined experimental and simulation study for the separation of carbon dioxide and methane mixtures using NH2-MIL-53(Al) as adsorbent is presented. A fixed-bed model has been applied to simulate binary breakthrough experiments obtained in small lab-scale equipment (10cm column, 1/4″ in diameter, 800mg sample). A mixed Langmuir/Langmuir-Freundlich isotherm is used to capture the temperature dependence of the two-step isotherm and a linear driving force model to capture diffusion in the MOF crystals. The model is able to describe the experimental breakthrough data at 273K over a pressure range of 1 to 20bar. Displacement of methane by carbon dioxide, a large apparent roll-up effect, heats of adsorption and dispersion phenomena have been quantified taking into account post-column volumes often present in lab-scale equipment. The heat effects result in a maximum local temperature rise up to 20K.

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KW - Carbon dioxide separation

KW - Gas separation

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