Equilibrium absorptive partitioning theory between multiple aerosol particle modes
An existing equilibrium absorptive partitioning model for calculating the equilibrium gas and particle concentrations of multiple semi-volatile organics within a bulk aerosol is extended to allow for multiple involatile aerosol modes of different sizes and chemical compositions. In the bulk aerosol...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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Copernicus Publications
2016-10-01
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| Series: | Geoscientific Model Development |
| Online Access: | http://www.geosci-model-dev.net/9/3617/2016/gmd-9-3617-2016.pdf |
| _version_ | 1818598901415936000 |
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| author | M. Crooks P. Connolly D. Topping G. McFiggans |
| author_facet | M. Crooks P. Connolly D. Topping G. McFiggans |
| author_sort | M. Crooks |
| collection | DOAJ |
| description | An existing equilibrium absorptive partitioning model for calculating the
equilibrium gas and particle concentrations of multiple semi-volatile
organics within a bulk aerosol is extended to allow for multiple involatile
aerosol modes of different sizes and chemical compositions. In the bulk
aerosol problem, the partitioning coefficient determines the fraction of the
total concentration of semi-volatile material that is in the condensed phase
of the aerosol. This work modifies this definition for multiple polydisperse
aerosol modes to account for multiple condensed concentrations, one for each
semi-volatile on each involatile aerosol mode. The pivotal assumption in this
work is that each aerosol mode contains an involatile constituent, thus
overcoming the potential problem of smaller particles evaporating completely
and then condensing on the larger particles to create a monodisperse aerosol
at equilibrium. A parameterisation is proposed in which the coupled
non-linear system of equations is approximated by a simpler set of equations
obtained by setting the organic mole fraction in the partitioning coefficient
to be the same across all modes. By perturbing the condensed masses about
this approximate solution a correction term is derived that accounts for many
of the removed complexities. This method offers a greatly increased
efficiency in calculating the solution without significant loss in accuracy,
thus making it suitable for inclusion in large-scale models. |
| first_indexed | 2024-12-16T12:11:04Z |
| format | Article |
| id | doaj.art-63792b4f767e4a0da905b952161ac7e0 |
| institution | Directory Open Access Journal |
| issn | 1991-959X 1991-9603 |
| language | English |
| last_indexed | 2024-12-16T12:11:04Z |
| publishDate | 2016-10-01 |
| publisher | Copernicus Publications |
| record_format | Article |
| series | Geoscientific Model Development |
| spelling | doaj.art-63792b4f767e4a0da905b952161ac7e02022-12-21T22:32:11ZengCopernicus PublicationsGeoscientific Model Development1991-959X1991-96032016-10-019103617363710.5194/gmd-9-3617-2016Equilibrium absorptive partitioning theory between multiple aerosol particle modesM. Crooks0P. Connolly1D. Topping2G. McFiggans3The School of Earth, Atmospheric and Environmental Science, The University of Manchester, Oxford Road, Manchester, M13 9PL, UKThe School of Earth, Atmospheric and Environmental Science, The University of Manchester, Oxford Road, Manchester, M13 9PL, UKThe School of Earth, Atmospheric and Environmental Science, The University of Manchester, Oxford Road, Manchester, M13 9PL, UKThe School of Earth, Atmospheric and Environmental Science, The University of Manchester, Oxford Road, Manchester, M13 9PL, UKAn existing equilibrium absorptive partitioning model for calculating the equilibrium gas and particle concentrations of multiple semi-volatile organics within a bulk aerosol is extended to allow for multiple involatile aerosol modes of different sizes and chemical compositions. In the bulk aerosol problem, the partitioning coefficient determines the fraction of the total concentration of semi-volatile material that is in the condensed phase of the aerosol. This work modifies this definition for multiple polydisperse aerosol modes to account for multiple condensed concentrations, one for each semi-volatile on each involatile aerosol mode. The pivotal assumption in this work is that each aerosol mode contains an involatile constituent, thus overcoming the potential problem of smaller particles evaporating completely and then condensing on the larger particles to create a monodisperse aerosol at equilibrium. A parameterisation is proposed in which the coupled non-linear system of equations is approximated by a simpler set of equations obtained by setting the organic mole fraction in the partitioning coefficient to be the same across all modes. By perturbing the condensed masses about this approximate solution a correction term is derived that accounts for many of the removed complexities. This method offers a greatly increased efficiency in calculating the solution without significant loss in accuracy, thus making it suitable for inclusion in large-scale models.http://www.geosci-model-dev.net/9/3617/2016/gmd-9-3617-2016.pdf |
| spellingShingle | M. Crooks P. Connolly D. Topping G. McFiggans Equilibrium absorptive partitioning theory between multiple aerosol particle modes Geoscientific Model Development |
| title | Equilibrium absorptive partitioning theory between multiple aerosol particle modes |
| title_full | Equilibrium absorptive partitioning theory between multiple aerosol particle modes |
| title_fullStr | Equilibrium absorptive partitioning theory between multiple aerosol particle modes |
| title_full_unstemmed | Equilibrium absorptive partitioning theory between multiple aerosol particle modes |
| title_short | Equilibrium absorptive partitioning theory between multiple aerosol particle modes |
| title_sort | equilibrium absorptive partitioning theory between multiple aerosol particle modes |
| url | http://www.geosci-model-dev.net/9/3617/2016/gmd-9-3617-2016.pdf |
| work_keys_str_mv | AT mcrooks equilibriumabsorptivepartitioningtheorybetweenmultipleaerosolparticlemodes AT pconnolly equilibriumabsorptivepartitioningtheorybetweenmultipleaerosolparticlemodes AT dtopping equilibriumabsorptivepartitioningtheorybetweenmultipleaerosolparticlemodes AT gmcfiggans equilibriumabsorptivepartitioningtheorybetweenmultipleaerosolparticlemodes |