The Secondary Organic Aerosol Processor (SOAP v1. 0) model: a unified model with different ranges of complexity based on the molecular surrogate approach

F Couvidat, K Sartelet - Geoscientific Model Development, 2015 - gmd.copernicus.org
In this paper the Secondary Organic Aerosol Processor (SOAP v1. 0) model is presented.
This model determines the partitioning of organic compounds between the gas and particle …

New and extended parameterization of the thermodynamic model AIOMFAC: calculation of activity coefficients for organic-inorganic mixtures containing carboxyl …

A Zuend, C Marcolli, AM Booth… - Atmospheric …, 2011 - acp.copernicus.org
We present a new and considerably extended parameterization of the thermodynamic
activity coefficient model AIOMFAC (Aerosol Inorganic-Organic Mixtures Functional groups …

A thermodynamic model of mixed organic-inorganic aerosols to predict activity coefficients

A Zuend, C Marcolli, BP Luo… - Atmospheric Chemistry and …, 2008 - acp.copernicus.org
Tropospheric aerosols contain mixtures of inorganic salts, acids, water, and a large variety of
organic compounds. Interactions between these substances in liquid mixtures lead to …

Effects of uncertainties in the thermodynamic properties of aerosol components in an air quality model–Part 1: Treatment of inorganic electrolytes and organic …

SL Clegg, MJ Kleeman, RJ Griffin… - … Chemistry and Physics, 2008 - acp.copernicus.org
Air quality models that generate the concentrations of semi-volatile and other condensable
organic compounds using an explicit reaction mechanism require estimates of the physical …

Improved AIOMFAC model parameterisation of the temperature dependence of activity coefficients for aqueous organic mixtures

G Ganbavale, A Zuend, C Marcolli… - … Chemistry and Physics, 2015 - acp.copernicus.org
This study presents a new, improved parameterisation of the temperature dependence of
activity coefficients in the AIOMFAC (Aerosol Inorganic–Organic Mixtures Functional groups …

Development and initial application of the sesquiversion of MADRID

BK Pun - Journal of Geophysical Research: Atmospheres, 2008 - Wiley Online Library
Organic aerosol (OA) models are typically formulated on the basis of empirical parameters
or from first principles based on molecular constituents and properties. The overarching …

Modeling the gas-particle partitioning of secondary organic aerosol: the importance of liquid-liquid phase separation

A Zuend, JH Seinfeld - Atmospheric Chemistry and Physics, 2012 - acp.copernicus.org
The partitioning of semivolatile organic compounds between the gas phase and aerosol
particles is an important source of secondary organic aerosol (SOA). Gas-particle …

Prediction of activity coefficients in liquid aerosol particles containing organic compounds, dissolved inorganic salts, and water—Part 2: Consideration of phase …

EI Chang, JF Pankow - Atmospheric Environment, 2006 - Elsevier
A thermodynamic model is presented for predicting the formation of particulate matter (PM)
within an aerosol that contains organic compounds, inorganic salts, and water. Neutral …

[HTML][HTML] Modeling the effect of non-ideality, dynamic mass transfer and viscosity on SOA formation in a 3-D air quality model

Y Kim, K Sartelet, F Couvidat - Atmospheric Chemistry and …, 2019 - acp.copernicus.org
In this study, assumptions (ideality and thermodynamic equilibrium) commonly made in
three-dimensional (3-D) air quality models were reconsidered to evaluate their impacts on …

[HTML][HTML] Relative-humidity-dependent organic aerosol thermodynamics via an efficient reduced-complexity model

K Gorkowski, TC Preston, A Zuend - Atmospheric Chemistry and …, 2019 - acp.copernicus.org
Water plays an essential role in aerosol chemistry, gas–particle partitioning, and particle
viscosity, but it is typically omitted in thermodynamic models describing the mixing within …