On the numerical simulation of diffusion-controlled reactions under local equilibrium conditions
To estimate the interfacial velocity in a multicomponent moving boundary problem, existing procedures require an interative technique to be used if a sharp interface method is employed. The need to use an interative technique can cause convergence problems; these become more frequent as more compone...
| Main Authors: | , |
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| Format: | Journal article |
| Language: | English |
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2008
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| _version_ | 1797097384893743104 |
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| author | Larsson, H Reed, R |
| author_facet | Larsson, H Reed, R |
| author_sort | Larsson, H |
| collection | OXFORD |
| description | To estimate the interfacial velocity in a multicomponent moving boundary problem, existing procedures require an interative technique to be used if a sharp interface method is employed. The need to use an interative technique can cause convergence problems; these become more frequent as more components are added. In this paper, two new methods are suggested which allow the velocity of a phase interface to be evaluated directly from the fluxes of the components under the assumption of local equilibrium. The methods assume that the interface has a fixed width in which the incoming and outgoing components are distributed in a way that moves the interface while maintaining local equilibrium. Example simulations are presented and results are in good agreement with established front-tracking simulation software (DICTRA); moreover, the superior convergence of the new methods is demonstrated. © 2008 Acta Materialia Inc. |
| first_indexed | 2024-03-07T04:54:43Z |
| format | Journal article |
| id | oxford-uuid:d632dfa4-e176-4405-8c90-c6bc601345c2 |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T04:54:43Z |
| publishDate | 2008 |
| record_format | dspace |
| spelling | oxford-uuid:d632dfa4-e176-4405-8c90-c6bc601345c22022-03-27T08:31:38ZOn the numerical simulation of diffusion-controlled reactions under local equilibrium conditionsJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:d632dfa4-e176-4405-8c90-c6bc601345c2EnglishSymplectic Elements at Oxford2008Larsson, HReed, RTo estimate the interfacial velocity in a multicomponent moving boundary problem, existing procedures require an interative technique to be used if a sharp interface method is employed. The need to use an interative technique can cause convergence problems; these become more frequent as more components are added. In this paper, two new methods are suggested which allow the velocity of a phase interface to be evaluated directly from the fluxes of the components under the assumption of local equilibrium. The methods assume that the interface has a fixed width in which the incoming and outgoing components are distributed in a way that moves the interface while maintaining local equilibrium. Example simulations are presented and results are in good agreement with established front-tracking simulation software (DICTRA); moreover, the superior convergence of the new methods is demonstrated. © 2008 Acta Materialia Inc. |
| spellingShingle | Larsson, H Reed, R On the numerical simulation of diffusion-controlled reactions under local equilibrium conditions |
| title | On the numerical simulation of diffusion-controlled reactions under local equilibrium conditions |
| title_full | On the numerical simulation of diffusion-controlled reactions under local equilibrium conditions |
| title_fullStr | On the numerical simulation of diffusion-controlled reactions under local equilibrium conditions |
| title_full_unstemmed | On the numerical simulation of diffusion-controlled reactions under local equilibrium conditions |
| title_short | On the numerical simulation of diffusion-controlled reactions under local equilibrium conditions |
| title_sort | on the numerical simulation of diffusion controlled reactions under local equilibrium conditions |
| work_keys_str_mv | AT larssonh onthenumericalsimulationofdiffusioncontrolledreactionsunderlocalequilibriumconditions AT reedr onthenumericalsimulationofdiffusioncontrolledreactionsunderlocalequilibriumconditions |