EVAPORATION: a new vapour pressure estimation methodfor organic molecules including non-additivity and intramolecular interactions

S Compernolle, K Ceulemans… - … Chemistry and Physics, 2011 - acp.copernicus.org
We present EVAPORATION (Estimation of VApour Pressure of ORganics, Accounting for
Temperature, Intramolecular, and Non-additivity effects), a method to predict (subcooled) …

α-Pinene autoxidation products may not have extremely low saturation vapor pressures despite high O: C ratios

T Kurten, K Tiusanen, P Roldin… - The Journal of …, 2016 - ACS Publications
COSMO-RS (conductor-like screening model for real solvents) and three different group-
contribution methods were used to compute saturation (subcooled) liquid vapor pressures …

Explicit modelling of SOA formation from α-pinene photooxidation: sensitivity to vapour pressure estimation

R Valorso, B Aumont, M Camredon… - Atmospheric …, 2011 - acp.copernicus.org
The sensitivity of the formation of secondary organic aerosol (SOA) to the estimated vapour
pressures of the condensable oxidation products is explored. A highly detailed reaction …

A chemical ionization high-resolution time-of-flight mass spectrometer coupled to a micro orifice volatilization impactor (MOVI-HRToF-CIMS) for analysis of gas and …

RLN Yatavelli, F Lopez-Hilfiker, JD Wargo… - Aerosol Science and …, 2012 - Taylor & Francis
We describe a new instrument, chemical ionization (CI) high-resolution time-of-flight mass
spectrometer (ToFMS) coupled to a micro-orifice volatilization impactor (MOVI-HRToF …

An assessment of vapour pressure estimation methods

S O'Meara, AM Booth, MH Barley, D Topping… - Physical Chemistry …, 2014 - pubs.rsc.org
Laboratory measurements of vapour pressures for atmospherically relevant compounds
were collated and used to assess the accuracy of vapour pressure estimates generated by …

Modeling regional secondary organic aerosol using the Master Chemical Mechanism

J Li, M Cleveland, LD Ziemba, RJ Griffin… - Atmospheric …, 2015 - Elsevier
A modified near-explicit Master Chemical Mechanism (MCM, version 3.2) with 5727 species
and 16,930 reactions and an equilibrium partitioning module was incorporated into the …

SOA formation from the photooxidation of -pinene: systematic exploration of the simulation of chamber data

RC McVay, X Zhang, B Aumont… - Atmospheric …, 2016 - acp.copernicus.org
Chemical mechanisms play an important role in simulating the atmospheric chemistry of
volatile organic compound oxidation. Comparison of mechanism simulations with laboratory …

Modeling SOA formation from the oxidation of intermediate volatility n-alkanes

B Aumont, R Valorso, C Mouchel-Vallon… - Atmospheric …, 2012 - acp.copernicus.org
The chemical mechanism leading to SOA formation and ageing is expected to be a
multigenerational process, ie a successive formation of organic compounds with higher …

The effect of photochemical ageing and initial precursor concentration on the composition and hygroscopic properties of β-caryophyllene secondary organic aerosol

MR Alfarra, JF Hamilton, KP Wyche… - Atmospheric …, 2012 - acp.copernicus.org
The effect of photochemical ageing and initial precursor concentration on the composition
and hygroscopic properties of secondary organic aerosol (SOA) formed during the chamber …

A significant role for nitrate and peroxide groups on indoor secondary organic aerosol

N Carslaw, T Mota, ME Jenkin, MH Barley… - … science & technology, 2012 - ACS Publications
This paper reports indoor secondary organic aerosol, SOA, composition based on the
results from an improved model for indoor air chemistry. The model uses a detailed chemical …