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Ionic Crystal Structures

Ionic Crystal Structures

Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...

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Updated: Jun 14, 2025

In situ FTIR Spectroscopy as a Tool for Investigation of Gas/Solid Interaction: Water-Enhanced CO2 Adsorption in UiO-66 Metal-Organic Framework

In situ FTIR Spectroscopy as a Tool for Investigation of Gas/Solid Interaction: Water-Enhanced CO2 Adsorption in UiO-66 Metal-Organic Framework

Published on: February 1, 2020

Encoding CO₂ Adsorption in Sodium Zirconate by Neutron Diffraction.

Connor Gammie¹, Fabian Hesse², Blair Kennedy³

¹Institute of Mechanical, Process and Energy Engineering, School of Engineering and Physical Sciences, Heriot-Watt University, Edinburgh EH14 4AS, UK.

Molecules (Basel, Switzerland)

|August 29, 2024

Summary

Researchers studied sodium zirconate for carbon dioxide (CO2) capture. Slower heating rates yielded higher CO2 uptake due to defects enhancing sodium diffusion, despite lower sample purity.

Keywords:

CO2 uptake TGA XRD carbon dioxide sorbent crystal structure neutron diffraction sodium zirconate synthesis method

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Published on: February 21, 2017

Area of Science:

Materials Science
Chemical Engineering
Solid-state Chemistry

Background:

Sodium zirconate is a promising high-temperature CO2 sorbent.
Limited understanding of its crystal structure during synthesis and CO2 uptake hinders optimization.

Purpose of the Study:

To investigate the crystal structure and CO2 sorption behavior of sodium zirconate.
To correlate synthesis conditions with material properties and performance.

Main Methods:

Neutron diffraction (ND) for structural analysis.
Thermogravimetric analysis (TGA) for sorption and desorption studies.
X-ray diffraction (XRD) for phase identification and crystallinity.

Main Results:

Pure monoclinic sodium zirconate synthesized with improved methods.
Slower heating rates (1 °C/min) increased CO2 uptake (4.32 mmol/g) and rate, attributed to defects.
ND confirmed complete Na2ZrO3 conversion and CO2 concentration effects; TGA showed steady sorption rates.

Conclusions:

Synthesis parameters significantly influence sodium zirconate's CO2 capture capacity.
Microstructure defects play a crucial role in enhancing CO2 sorption kinetics.
Sorbent reforming requires further optimization to minimize residual phases.