A two-dimensional volatility basis set: 1. organic-aerosol mixing thermodynamics

被引:510
作者
Donahue, N. M. [1 ]
Epstein, S. A. [1 ]
Pandis, S. N. [1 ]
Robinson, A. L. [1 ]
机构
[1] Carnegie Mellon Univ, Ctr Atmospher Particle Studies, Pittsburgh, PA 15213 USA
关键词
AIR-QUALITY MODEL; ATMOSPHERIC PARTICULATE MATTER; ACTIVITY-COEFFICIENT MODELS; VAPOR-PRESSURES; EVAPORATION RATES; SOURCE APPORTIONMENT; DICARBOXYLIC-ACIDS; ALPHA-PINENE; SEMIVOLATILE ORGANICS; GAS-CHROMATOGRAPHY;
D O I
10.5194/acp-11-3303-2011
中图分类号
X [环境科学、安全科学];
学科分类号
08 ; 0830 ;
摘要
We develop the thermodynamic underpinnings of a two-dimensional volatility basis set (2D-VBS) employing saturation mass concentration (C-o) and the oxygen content (O:C) to describe volatility, mixing thermodynamics, and chemical evolution of organic aerosol. The work addresses a simple question: "Can we reasonably constrain organic-aerosol composition in the atmosphere based on only two measurable organic properties, volatility and the extent of oxygenation?" This is an extension of our earlier one-dimensional approach employing volatility only (C* = gamma C-o, where gamma is an activity coefficient). Using available constraints on bulk organic-aerosol composition, we argue that one can reasonably predict the composition of organics (carbon, oxygen and hydrogen numbers) given a location in the C-o - space. Further, we argue that we can constrain the activity coefficients at various locations in this space based on the O:C of the organic aerosol.
引用
收藏
页码:3303 / 3318
页数:16
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