Atmospheric gas-aerosol equilibrium II. Analysis of common approximations and activity coefficient calculation methods

Yong Pyo Kim; John H. Seinfeld; Pradeep Saxena

doi:10.1080/02786829308959629

Atmospheric gas-aerosol equilibrium II. Analysis of common approximations and activity coefficient calculation methods

Yong Pyo Kim
, John H. Seinfeld
, Pradeep Saxena

Department of Chemical Engineering & Materials Science

Research output: Contribution to journal › Article › peer-review

162 Scopus citations

Abstract

The gas-aerosol equilibrium model, SCAPE, presented in Part I is used to evaluate the sensitivity of thermodynamic calculations of aerosol composition to common approximations and the choice of activity coefficient estimation method. The treatment of weak electrolytes, associated ammonia, NH₃(aq), and bisulfate ion, HSO₄ ⁻, is analyzed. Comparisons of the three multi-component activity coefficient estimation methods are carried out with a variety of data. On the basis of the sensitivity analysis results, recommendations are provided for treating these electrolytes and for selecting an activity coefficient estimation method in atmospheric gas-aerosol equilibrium calculations. The two gas-aerosol equilibrium models, SCAPE and AIM, are compared. Remaining questions in gas-aerosol equilibrium are highlighted.

Original language	English
Pages (from-to)	182-198
Number of pages	17
Journal	Aerosol Science and Technology
Volume	19
Issue number	2
DOIs	https://doi.org/10.1080/02786829308959629
State	Published - 1 Jan 1993

Bibliographical note

Funding Information:
This work was supported by the Electric Power Research Institute under agreement RP3189-03.

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title = "Atmospheric gas-aerosol equilibrium II. Analysis of common approximations and activity coefficient calculation methods",

abstract = "The gas-aerosol equilibrium model, SCAPE, presented in Part I is used to evaluate the sensitivity of thermodynamic calculations of aerosol composition to common approximations and the choice of activity coefficient estimation method. The treatment of weak electrolytes, associated ammonia, NH3(aq), and bisulfate ion, HSO4 −, is analyzed. Comparisons of the three multi-component activity coefficient estimation methods are carried out with a variety of data. On the basis of the sensitivity analysis results, recommendations are provided for treating these electrolytes and for selecting an activity coefficient estimation method in atmospheric gas-aerosol equilibrium calculations. The two gas-aerosol equilibrium models, SCAPE and AIM, are compared. Remaining questions in gas-aerosol equilibrium are highlighted.",

author = "Kim, \{Yong Pyo\} and Seinfeld, \{John H.\} and Pradeep Saxena",

note = "Funding Information: This work was supported by the Electric Power Research Institute under agreement RP3189-03.",

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AU - Kim, Yong Pyo

AU - Seinfeld, John H.

AU - Saxena, Pradeep

N1 - Funding Information: This work was supported by the Electric Power Research Institute under agreement RP3189-03.

PY - 1993/1/1

Y1 - 1993/1/1

N2 - The gas-aerosol equilibrium model, SCAPE, presented in Part I is used to evaluate the sensitivity of thermodynamic calculations of aerosol composition to common approximations and the choice of activity coefficient estimation method. The treatment of weak electrolytes, associated ammonia, NH3(aq), and bisulfate ion, HSO4 −, is analyzed. Comparisons of the three multi-component activity coefficient estimation methods are carried out with a variety of data. On the basis of the sensitivity analysis results, recommendations are provided for treating these electrolytes and for selecting an activity coefficient estimation method in atmospheric gas-aerosol equilibrium calculations. The two gas-aerosol equilibrium models, SCAPE and AIM, are compared. Remaining questions in gas-aerosol equilibrium are highlighted.

AB - The gas-aerosol equilibrium model, SCAPE, presented in Part I is used to evaluate the sensitivity of thermodynamic calculations of aerosol composition to common approximations and the choice of activity coefficient estimation method. The treatment of weak electrolytes, associated ammonia, NH3(aq), and bisulfate ion, HSO4 −, is analyzed. Comparisons of the three multi-component activity coefficient estimation methods are carried out with a variety of data. On the basis of the sensitivity analysis results, recommendations are provided for treating these electrolytes and for selecting an activity coefficient estimation method in atmospheric gas-aerosol equilibrium calculations. The two gas-aerosol equilibrium models, SCAPE and AIM, are compared. Remaining questions in gas-aerosol equilibrium are highlighted.

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JO - Aerosol Science and Technology

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Atmospheric gas-aerosol equilibrium II. Analysis of common approximations and activity coefficient calculation methods

Abstract

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