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SUMMARY:Detailed Modelling of Organic Chemistry in the Atmosphere – Rece
 nt Advances (and Limitations) - Dr Peter Brauer\, University of York
DTSTART:20171023T131500Z
DTEND:20171023T141500Z
UID:TALK77761@talks.cam.ac.uk
CONTACT:Paul Griffiths
DESCRIPTION:Organic compounds are ubiquitous in the atmosphere either in t
 he gas phase or in particles. As a major pollutant they affect air quality
 \, the oxidation capacity of the atmosphere\, human health\, crop yields\,
  and climate. Counteracting the negative effects from anthropogenic emissi
 ons costs billions of taxpayer’s money every year. Therefore\, it is nec
 essary to understand the detailed chemical transformations of organic comp
 ounds and their fate in the troposphere so that effects can be mitigated a
 ppropriately. Despite large efforts in this field over recent years\, larg
 e uncertainties and knowledge gaps remain\, especially what concerns the c
 ontributions of the aqueous phase chemistry.\n\nDue to the vast number and
  the large variety of organic compounds\, modelling is essential. For a de
 tailed process understanding on a fundamental level\, automation of the me
 chanism generation process is inevitable with current benchmark mechanisms
  reaching thousands of species and tens of thousands of reactions.\n\nThis
  talk will discuss current limitations in chemical mechanisms and attempts
  to overcome them. Efforts from the current MAGNIFY project are presented 
 to update the representation of photolysis processes in the Master Chemica
 l Mechanism (MCM\; http://mcm.leeds.ac.uk/) and to automate the mechanism 
 generation processes with the aid of the Generator for Explicit Chemistry 
 and Kinetics of Organics in the Atmosphere (GECKO-A\; Aumont et al.\, ACP 
 5(9)\, 2005). The role of the aqueous phase is discussed showing results f
 rom the previous ATMOCHEM project\, which aimed to develop an aqueous phas
 e protocol for automated mechanism generation in a combined effort to adva
 nce GECKO-A and the Chemical Aqueous Phase RAdical Mechanism (CAPRAM\; e.g
 .\, Tilgner and Herrmann\, Atmos Eviron 44(40)\, 2010).\n
LOCATION:Pfizer Lecture Theatre\, Department of Chemistry
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