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UID:20250927T173625EDT-2693ufA5sv@132.216.98.100
DTSTAMP:20250927T213625Z
DESCRIPTION: \n\nStudent Seminar Series\n\nDepartment of Atmospheric & Ocea
 nic Sciences\n\npresents\n\na talk by\n\nDalrin Ampritta Amaladhasan\n	PhD 
 student\n\nEffective 2-D product classification for near-explicit gas-aero
 sol systems: Tools and applications for efficient modeling of complex aero
 sol systems\n\nSecondary organic aerosol (SOA) material makes up a sizable
  fraction of the total atmospheric aerosol mass. Gas–particle partitioning
  is a key process in the formation and evolution of secondary organic aero
 sol (SOA). Our work builds on a thermodynamic equilibrium gas–particle par
 titioning model based on AIOMFAC. In principle\, this framework allows for
  predicting SOA formed for any well-characterized organic precursor when a
  system of representative surrogate components can be established. The obj
 ective of this study is the development of a flexible modular gas–aerosol 
 box model with automatic product classification to facilitate the modeling
  of complex close-to-reality aerosol systems. This can be attained by the 
 development of tools for automating aerosol property predictions used as i
 nputs in the model. These tools use cheminformatics-based SMILES/SMARTS li
 braries library to process thousands to millions of compounds for function
 al group classification as well as pure component vapor pressure estimatio
 n for any precursor system and interfaced with the model\; 2-dimensional (
 2-D) product lumping schemes to have an adjustable degree of species in th
 e system are implemented as the next crucial part of improving the gas-aer
 osol model efficiency. We explore the capability of a different polarity v
 s. volatility classification coordinates including AIOMFAC-predicted activ
 ity coefficient ratios in distinct solvents as a source of physicochemical
  information on the mixing of system components. This metric can be used f
 or representing SOA formed for any given aerosol system and hence in lumpi
 ng / simplifying a complex multicomponent aerosol system into an adjustabl
 e number of species based on a selection of lumping schemes to evaluate th
 e effect of each lumping scheme. classification schemes of varying complex
 ity and resolution were tested and that we will discuss the differences an
 d capabilities of those approaches using monoterpene-derived SOA systems. 
 A discussion of the results showing the capability of the property predict
 ion tool as well the 2-D product lumping scheme will be elaborated.\n\nWed
 nesday Jan 15/ 2.30 PM/ Room 934 Burnside Hall\n\n \n\n \n\n \n
DTSTART:20200115T193000Z
DTEND:20200115T203000Z
LOCATION:Room 934\, Burnside Hall\, CA\, QC\, Montreal\, H3A 0B9\, 805 rue 
 Sherbrooke Ouest
SUMMARY:Effective 2-D product classification for near-explicit gas-aerosol 
 systems: Tools and applications for efficient modeling of complex aerosol 
 systems
URL:/meteo/channels/event/effective-2-d-product-classi
 fication-near-explicit-gas-aerosol-systems-tools-and-applications-303971
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