Computer simulations of water interactions with low-coordinated forsterite surface sites: Implications for the origin of water in the inner solar system
Adsorption of water to fractal dust grains during accretion has been proposed as a possible source of water for rocky planets. We have used computer simulations to study the feasibility of chemisorption onto forsterite dust grains by investigating the adsorption of dissociated water to stoichiometri...
| Main Authors: | , , , , , , |
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| Format: | Journal Article |
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Elsevier BV
2010
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| Online Access: | http://hdl.handle.net/20.500.11937/34448 |
| _version_ | 1848754225496981504 |
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| author | King, H. Stimpfl, M. Deymier, P. Drake, M. Catlow, C. Putnis, Andrew de Leeuw, N. |
| author_facet | King, H. Stimpfl, M. Deymier, P. Drake, M. Catlow, C. Putnis, Andrew de Leeuw, N. |
| author_sort | King, H. |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | Adsorption of water to fractal dust grains during accretion has been proposed as a possible source of water for rocky planets. We have used computer simulations to study the feasibility of chemisorption onto forsterite dust grains by investigating the adsorption of dissociated water to stoichiometric and defective surfaces. Defects were modeled using steps, corner sites and vacancies on different forsterite surfaces. Our results show that water dissociation is expected on the stoichiometric (100) surface but not on the stoichiometric (010) surface. However, the energies released by dissociative adsorption at steps and corners indicate that the energetic barrier to chemisorption on the (010) surface would be favorable if these features were present. Steps and corners on all surfaces studied produced Mg sites that have low coordination and thus were highly reactive, favoring the dissociation of water. Terrace size between the steps was shown to have a limited effect on the final energies, although smaller terraces created more reactive Mg sites at corners. A simple Langmuir model was used with the energetic data from our simulations to examine the effectiveness of water adsorption at temperature and pressure conditions applicable to the accretion disk. The findings of this study suggest that water would be strongly chemisorbed at fractal forsterite surfaces even at low partial pressures suggesting that water could be retained during planetary accretion. © 2010 Elsevier B.V. |
| first_indexed | 2025-11-14T08:37:02Z |
| format | Journal Article |
| id | curtin-20.500.11937-34448 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-14T08:37:02Z |
| publishDate | 2010 |
| publisher | Elsevier BV |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-344482017-09-13T15:10:08Z Computer simulations of water interactions with low-coordinated forsterite surface sites: Implications for the origin of water in the inner solar system King, H. Stimpfl, M. Deymier, P. Drake, M. Catlow, C. Putnis, Andrew de Leeuw, N. Adsorption of water to fractal dust grains during accretion has been proposed as a possible source of water for rocky planets. We have used computer simulations to study the feasibility of chemisorption onto forsterite dust grains by investigating the adsorption of dissociated water to stoichiometric and defective surfaces. Defects were modeled using steps, corner sites and vacancies on different forsterite surfaces. Our results show that water dissociation is expected on the stoichiometric (100) surface but not on the stoichiometric (010) surface. However, the energies released by dissociative adsorption at steps and corners indicate that the energetic barrier to chemisorption on the (010) surface would be favorable if these features were present. Steps and corners on all surfaces studied produced Mg sites that have low coordination and thus were highly reactive, favoring the dissociation of water. Terrace size between the steps was shown to have a limited effect on the final energies, although smaller terraces created more reactive Mg sites at corners. A simple Langmuir model was used with the energetic data from our simulations to examine the effectiveness of water adsorption at temperature and pressure conditions applicable to the accretion disk. The findings of this study suggest that water would be strongly chemisorbed at fractal forsterite surfaces even at low partial pressures suggesting that water could be retained during planetary accretion. © 2010 Elsevier B.V. 2010 Journal Article http://hdl.handle.net/20.500.11937/34448 10.1016/j.epsl.2010.10.019 Elsevier BV restricted |
| spellingShingle | King, H. Stimpfl, M. Deymier, P. Drake, M. Catlow, C. Putnis, Andrew de Leeuw, N. Computer simulations of water interactions with low-coordinated forsterite surface sites: Implications for the origin of water in the inner solar system |
| title | Computer simulations of water interactions with low-coordinated forsterite surface sites: Implications for the origin of water in the inner solar system |
| title_full | Computer simulations of water interactions with low-coordinated forsterite surface sites: Implications for the origin of water in the inner solar system |
| title_fullStr | Computer simulations of water interactions with low-coordinated forsterite surface sites: Implications for the origin of water in the inner solar system |
| title_full_unstemmed | Computer simulations of water interactions with low-coordinated forsterite surface sites: Implications for the origin of water in the inner solar system |
| title_short | Computer simulations of water interactions with low-coordinated forsterite surface sites: Implications for the origin of water in the inner solar system |
| title_sort | computer simulations of water interactions with low-coordinated forsterite surface sites: implications for the origin of water in the inner solar system |
| url | http://hdl.handle.net/20.500.11937/34448 |