Enhancement of Thermochemical Energy Storage by Alkali Metal Chloride Salts-Doped Ca-Based Sorbents: A Combined DFT and Experimental Study
In this paper, the enhancement of thermochemical energy storage by alkali metal chloride salts-doped Ca-based sorbents is revealed by experiments and DFT calculations. The results indicate that NaCl and KCl doping increases the reaction rate and cycle stability. Compared to CaO, the conversion of Na...
Saved in:
| Main Authors: | , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2024-12-01
|
| Series: | Molecules |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1420-3049/29/24/6058 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1846103417550798848 |
|---|---|
| author | Dehao Kong Nan He Qicheng Chen Binjian Nie Yingjin Zhang Nan An Liang Yao Zhihui Wang |
| author_facet | Dehao Kong Nan He Qicheng Chen Binjian Nie Yingjin Zhang Nan An Liang Yao Zhihui Wang |
| author_sort | Dehao Kong |
| collection | DOAJ |
| description | In this paper, the enhancement of thermochemical energy storage by alkali metal chloride salts-doped Ca-based sorbents is revealed by experiments and DFT calculations. The results indicate that NaCl and KCl doping increases the reaction rate and cycle stability. Compared to CaO, the conversion of NaCl-CaO and KCl-CaO after one cycle is increased by 59.1% and 61.9%, respectively. This enhancement originates from the oxygen vacancies generated by Na<sub>2</sub>O and K<sub>2</sub>O and the significantly increased surface area by CaCl<sub>2</sub> as well as the sintering delay. The synergistic effect between Na<sub>2</sub>O, K<sub>2</sub>O, and CaCl<sub>2</sub> increases the reaction rate of calcium-based materials. Meanwhile, the penetration of low-viscosity molten NaCl and KCl into the calcium-based materials successfully segregates the CaO grains and allows the calcium-based material to maintain the porous structure after 80 cycles, thus exhibiting a high effective conversion rate. In addition, the KCl-CaO composites show the best combined performance in terms of effective conversion and averaged thermal energy density. This work paves the way for the application of chloride salts-doped calcium-based materials. |
| format | Article |
| id | doaj-art-4fb7ff8edd9742a1b65b5b4194a9b9a0 |
| institution | Kabale University |
| issn | 1420-3049 |
| language | English |
| publishDate | 2024-12-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj-art-4fb7ff8edd9742a1b65b5b4194a9b9a02024-12-27T14:43:04ZengMDPI AGMolecules1420-30492024-12-012924605810.3390/molecules29246058Enhancement of Thermochemical Energy Storage by Alkali Metal Chloride Salts-Doped Ca-Based Sorbents: A Combined DFT and Experimental StudyDehao Kong0Nan He1Qicheng Chen2Binjian Nie3Yingjin Zhang4Nan An5Liang Yao6Zhihui Wang7School of Energy and Power Engineering, Northeast Electric Power University, Jilin 132012, ChinaSchool of Energy and Power Engineering, Northeast Electric Power University, Jilin 132012, ChinaSchool of Energy and Power Engineering, Northeast Electric Power University, Jilin 132012, ChinaDepartment of Engineering Science, University of Oxford, Oxford OX1 3PJ, UKSchool of Automation Engineering, Northeast Electric Power University, Jilin 132012, ChinaSchool of Energy and Power Engineering, Northeast Electric Power University, Jilin 132012, ChinaSchool of Energy and Power Engineering, Northeast Electric Power University, Jilin 132012, ChinaSchool of Energy and Power Engineering, Northeast Electric Power University, Jilin 132012, ChinaIn this paper, the enhancement of thermochemical energy storage by alkali metal chloride salts-doped Ca-based sorbents is revealed by experiments and DFT calculations. The results indicate that NaCl and KCl doping increases the reaction rate and cycle stability. Compared to CaO, the conversion of NaCl-CaO and KCl-CaO after one cycle is increased by 59.1% and 61.9%, respectively. This enhancement originates from the oxygen vacancies generated by Na<sub>2</sub>O and K<sub>2</sub>O and the significantly increased surface area by CaCl<sub>2</sub> as well as the sintering delay. The synergistic effect between Na<sub>2</sub>O, K<sub>2</sub>O, and CaCl<sub>2</sub> increases the reaction rate of calcium-based materials. Meanwhile, the penetration of low-viscosity molten NaCl and KCl into the calcium-based materials successfully segregates the CaO grains and allows the calcium-based material to maintain the porous structure after 80 cycles, thus exhibiting a high effective conversion rate. In addition, the KCl-CaO composites show the best combined performance in terms of effective conversion and averaged thermal energy density. This work paves the way for the application of chloride salts-doped calcium-based materials.https://www.mdpi.com/1420-3049/29/24/6058calcium loopingsynergistic effectchloride salts-dopingthermochemical energy storageDFT calculations |
| spellingShingle | Dehao Kong Nan He Qicheng Chen Binjian Nie Yingjin Zhang Nan An Liang Yao Zhihui Wang Enhancement of Thermochemical Energy Storage by Alkali Metal Chloride Salts-Doped Ca-Based Sorbents: A Combined DFT and Experimental Study Molecules calcium looping synergistic effect chloride salts-doping thermochemical energy storage DFT calculations |
| title | Enhancement of Thermochemical Energy Storage by Alkali Metal Chloride Salts-Doped Ca-Based Sorbents: A Combined DFT and Experimental Study |
| title_full | Enhancement of Thermochemical Energy Storage by Alkali Metal Chloride Salts-Doped Ca-Based Sorbents: A Combined DFT and Experimental Study |
| title_fullStr | Enhancement of Thermochemical Energy Storage by Alkali Metal Chloride Salts-Doped Ca-Based Sorbents: A Combined DFT and Experimental Study |
| title_full_unstemmed | Enhancement of Thermochemical Energy Storage by Alkali Metal Chloride Salts-Doped Ca-Based Sorbents: A Combined DFT and Experimental Study |
| title_short | Enhancement of Thermochemical Energy Storage by Alkali Metal Chloride Salts-Doped Ca-Based Sorbents: A Combined DFT and Experimental Study |
| title_sort | enhancement of thermochemical energy storage by alkali metal chloride salts doped ca based sorbents a combined dft and experimental study |
| topic | calcium looping synergistic effect chloride salts-doping thermochemical energy storage DFT calculations |
| url | https://www.mdpi.com/1420-3049/29/24/6058 |
| work_keys_str_mv | AT dehaokong enhancementofthermochemicalenergystoragebyalkalimetalchloridesaltsdopedcabasedsorbentsacombineddftandexperimentalstudy AT nanhe enhancementofthermochemicalenergystoragebyalkalimetalchloridesaltsdopedcabasedsorbentsacombineddftandexperimentalstudy AT qichengchen enhancementofthermochemicalenergystoragebyalkalimetalchloridesaltsdopedcabasedsorbentsacombineddftandexperimentalstudy AT binjiannie enhancementofthermochemicalenergystoragebyalkalimetalchloridesaltsdopedcabasedsorbentsacombineddftandexperimentalstudy AT yingjinzhang enhancementofthermochemicalenergystoragebyalkalimetalchloridesaltsdopedcabasedsorbentsacombineddftandexperimentalstudy AT nanan enhancementofthermochemicalenergystoragebyalkalimetalchloridesaltsdopedcabasedsorbentsacombineddftandexperimentalstudy AT liangyao enhancementofthermochemicalenergystoragebyalkalimetalchloridesaltsdopedcabasedsorbentsacombineddftandexperimentalstudy AT zhihuiwang enhancementofthermochemicalenergystoragebyalkalimetalchloridesaltsdopedcabasedsorbentsacombineddftandexperimentalstudy |