Understanding the nucleation and growth mechanisms of calcium oxalate in aqueous solution by computer simulation
This study investigated the nucleation and growth mechanisms of calcium oxalate in aqueous solution through the use of atomistic computer simulation based on both force fields and density functional theory. As a result, this research has shed light on the initial speciation and cluster formation of...
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| Format: | Thesis |
| Published: |
2017
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| Online Access: | http://hdl.handle.net/20.500.11937/54058 |
| _version_ | 1848759294907908096 |
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| author | Zhao, Wen |
| author_facet | Zhao, Wen |
| author_sort | Zhao, Wen |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | This study investigated the nucleation and growth mechanisms of calcium oxalate in aqueous solution through the use of atomistic computer simulation based on both force fields and density functional theory. As a result, this research has shed light on the initial speciation and cluster formation of calcium oxalate in water, as well as on the structures and stability of the solid anhydrous phase. |
| first_indexed | 2025-11-14T09:57:36Z |
| format | Thesis |
| id | curtin-20.500.11937-54058 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-14T09:57:36Z |
| publishDate | 2017 |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-540582017-08-03T07:50:34Z Understanding the nucleation and growth mechanisms of calcium oxalate in aqueous solution by computer simulation Zhao, Wen This study investigated the nucleation and growth mechanisms of calcium oxalate in aqueous solution through the use of atomistic computer simulation based on both force fields and density functional theory. As a result, this research has shed light on the initial speciation and cluster formation of calcium oxalate in water, as well as on the structures and stability of the solid anhydrous phase. 2017 Thesis http://hdl.handle.net/20.500.11937/54058 fulltext |
| spellingShingle | Zhao, Wen Understanding the nucleation and growth mechanisms of calcium oxalate in aqueous solution by computer simulation |
| title | Understanding the nucleation and growth mechanisms of calcium oxalate in aqueous solution by computer simulation |
| title_full | Understanding the nucleation and growth mechanisms of calcium oxalate in aqueous solution by computer simulation |
| title_fullStr | Understanding the nucleation and growth mechanisms of calcium oxalate in aqueous solution by computer simulation |
| title_full_unstemmed | Understanding the nucleation and growth mechanisms of calcium oxalate in aqueous solution by computer simulation |
| title_short | Understanding the nucleation and growth mechanisms of calcium oxalate in aqueous solution by computer simulation |
| title_sort | understanding the nucleation and growth mechanisms of calcium oxalate in aqueous solution by computer simulation |
| url | http://hdl.handle.net/20.500.11937/54058 |