Incorporation of impurity anions into DSP: insights into structure and stability from computer modelling
DSP is an important by-product of alumina production via the Bayer process. Under Western Australian processing conditions, the DSP has a sodalite-type structure that can incorporate anions within its framework. This is particularly useful for removal of impurity anions from liquor recycled in the c...
| Main Authors: | , , , , |
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| Format: | Journal Article |
| Published: |
Taylor & Francis Ltd
2006
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| Subjects: | |
| Online Access: | http://www.informaworld.com http://hdl.handle.net/20.500.11937/44690 |
| _version_ | 1848757074263015424 |
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| author | Lowe, Jennifer Rohl, Andrew Gale, Julian Parkinson, Gordon Smith, P. |
| author_facet | Lowe, Jennifer Rohl, Andrew Gale, Julian Parkinson, Gordon Smith, P. |
| author_sort | Lowe, Jennifer |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | DSP is an important by-product of alumina production via the Bayer process. Under Western Australian processing conditions, the DSP has a sodalite-type structure that can incorporate anions within its framework. This is particularly useful for removal of impurity anions from liquor recycled in the circuit. As a first step to gaining a fundamental understanding of the incorporation process, we have undertaken molecular mechanics calculations to examine the interaction energy between a series of anions and the sodalite framework, as a measure of the affinity of the anions for the sodalite cage. Our calculations predict that the ions have an increased affinity for the cage along the series aluminate, chloride, carbonate, sulfate and hydroxide. These calculations have successfully predicted the trends that we observe from competitive-uptake experiments in our laboratory. |
| first_indexed | 2025-11-14T09:22:18Z |
| format | Journal Article |
| id | curtin-20.500.11937-44690 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-14T09:22:18Z |
| publishDate | 2006 |
| publisher | Taylor & Francis Ltd |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-446902019-02-19T04:27:51Z Incorporation of impurity anions into DSP: insights into structure and stability from computer modelling Lowe, Jennifer Rohl, Andrew Gale, Julian Parkinson, Gordon Smith, P. Interaction energy Bayer process Desilication product Binding DSP is an important by-product of alumina production via the Bayer process. Under Western Australian processing conditions, the DSP has a sodalite-type structure that can incorporate anions within its framework. This is particularly useful for removal of impurity anions from liquor recycled in the circuit. As a first step to gaining a fundamental understanding of the incorporation process, we have undertaken molecular mechanics calculations to examine the interaction energy between a series of anions and the sodalite framework, as a measure of the affinity of the anions for the sodalite cage. Our calculations predict that the ions have an increased affinity for the cage along the series aluminate, chloride, carbonate, sulfate and hydroxide. These calculations have successfully predicted the trends that we observe from competitive-uptake experiments in our laboratory. 2006 Journal Article http://hdl.handle.net/20.500.11937/44690 10.1080/08927020500529301 http://www.informaworld.com Taylor & Francis Ltd restricted |
| spellingShingle | Interaction energy Bayer process Desilication product Binding Lowe, Jennifer Rohl, Andrew Gale, Julian Parkinson, Gordon Smith, P. Incorporation of impurity anions into DSP: insights into structure and stability from computer modelling |
| title | Incorporation of impurity anions into DSP: insights into structure and stability from computer modelling |
| title_full | Incorporation of impurity anions into DSP: insights into structure and stability from computer modelling |
| title_fullStr | Incorporation of impurity anions into DSP: insights into structure and stability from computer modelling |
| title_full_unstemmed | Incorporation of impurity anions into DSP: insights into structure and stability from computer modelling |
| title_short | Incorporation of impurity anions into DSP: insights into structure and stability from computer modelling |
| title_sort | incorporation of impurity anions into dsp: insights into structure and stability from computer modelling |
| topic | Interaction energy Bayer process Desilication product Binding |
| url | http://www.informaworld.com http://hdl.handle.net/20.500.11937/44690 |