Encoding CO2 Adsorption in Sodium Zirconate by Neutron Diffraction
Abstract
:1. Introduction
2. Results and Discussion
2.1. X-ray Diffraction
2.2. Neutron Diffraction Analysis
2.3. TGA-DTG Analysis
3. Materials and Methods
3.1. Materials
3.1.1. Original Synthesis Method (OSM)
- Method One—A heating rate of 1 °C /min up to a maximum temperature of 900 °C, then held at this temperature for two hours.
- Method Two—A heating rate of 10 °C /min up to a maximum temperature of 900 °C, then held at this temperature for two hours.
3.1.2. Improved Synthesis Method (ISM)
3.2. X-ray Diffraction
3.3. Neutron Diffraction (ND)
3.3.1. Experiments Conducted on Sample Synthesised with 1 °C/min Heating Rate
3.3.2. Experiments Conducted on Sample Synthesised with 10 °C/min Heating Rate
3.3.3. ND Data Analysis
3.4. Thermogravimetric Analysis
- Under the presence of pure nitrogen gas, heating until 900 °C and holding at this temperature initially for 27 min until the material stabilises.
- Under 20 mol% CO2 (balanced by nitrogen), where the temperature is reduced to 700 °C and held for 5 min.
- Under pure nitrogen, the temperature is again increased to 900 °C and held for 5 min.
3.5. Derivative Thermogravimetry (DTG)
4. Conclusions
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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Sample | Na2ZrO3 wt% | ZrO2 wt% | Na2CO3 wt% |
---|---|---|---|
1 DCPM–OSM | 66.9 | 21.4 | 11.6 |
10 DCPM–OSM | 67.3 | 23.6 | 9.1 |
1 DCPM–ISM | 84.7 | 0.8 | 14.5 |
10 DCPM–ISM | 100 | 0 | 0 |
Sample | CO2 Uptake Capacity after 1st Cycle, wt% | % Decrease after 1st Cycle | CO2 Uptake Capacity after 2nd Cycle, wt% | % Decrease after 2nd Cycle |
---|---|---|---|---|
ISM-1 °C/min | 18.89% | 13.92% | 13.40% | 10.83% |
ISM-10 °C/min | 12.77% | 9.64% | 9.69% | 7.93% |
Sample | Space Group | Unit Cell Parameters | ||||
---|---|---|---|---|---|---|
a | b | c | Beta | Volume | ||
Sodium Zirconate | C 1 2/c 1 | 5.68623 | 9.85403 | 11.33008 | 99.903 | 625.391 |
Sodium Carbonate (low Temperature) | C 1 2/m 1 | 8.91799 | 5.2497 | 6.06909 | 100.949 | 278.693 |
Sodium Carbonate (High Temperature) | p 63/m m c | 5.22204 | 6.71301 | - | - | 158.563 |
Zirconium Dioxide (Low Temperature) | p 1 21/c 1 | 5.20052 | 5.16255 | 5.32503 | 99.978 | 140.805 |
Zirconium Dioxide (High Temperature) | F m −3 m | 5.11885 | - | - | - | 134.127 |
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Gammie, C.; Hesse, F.; Kennedy, B.; Bos, J.-W.G.; Sanna, A. Encoding CO2 Adsorption in Sodium Zirconate by Neutron Diffraction. Molecules 2024, 29, 3798. https://doi.org/10.3390/molecules29163798
Gammie C, Hesse F, Kennedy B, Bos J-WG, Sanna A. Encoding CO2 Adsorption in Sodium Zirconate by Neutron Diffraction. Molecules. 2024; 29(16):3798. https://doi.org/10.3390/molecules29163798
Chicago/Turabian StyleGammie, Connor, Fabian Hesse, Blair Kennedy, Jan-Willem G. Bos, and Aimaro Sanna. 2024. "Encoding CO2 Adsorption in Sodium Zirconate by Neutron Diffraction" Molecules 29, no. 16: 3798. https://doi.org/10.3390/molecules29163798