کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
6336699 | 1620341 | 2016 | 10 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Vapor pressure predictions of multi-functional oxygen-containing organic compounds with COSMO-RS
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
علوم زمین و سیارات
علم هواشناسی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Given the recent interest in multi-functional oxygen-containing organic compounds and the need of accurate and consistent data, a complete review and systematic analysis of available experimental vapor pressure data, as published in the original work of (Asher et al., 2002), was performed with the ThermoData Engine (TDE). A revised set of critical evaluated vapor pressure data, including their uncertainties based on the principles of dynamic data evaluation, is here recommended for a total of 58 compounds. COSMO-RS was further used for vapor pressure estimations for these compounds. The quality of the results is discussed in terms of the chemical functionalities of the molecules. To illustrate the partition behaviour of the title compounds under ambient conditions, a simple comparison of volatility binning between estimates and measurements was performed. Since the encountered vapor pressures are rather high, with respect to pressure range of semi-volatile organic compounds (SVOC), a large fraction is expected to stay in the atmosphere rather than to form secondary organic aerosol.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Atmospheric Environment - Volume 133, May 2016, Pages 135-144
Journal: Atmospheric Environment - Volume 133, May 2016, Pages 135-144
نویسندگان
Bernd Schröder, Michal Fulem, Mónia A.R. Martins,