环境化学中常用模型介绍.doc

实用标准文案 PAGE 精彩文档 ANNEX C Descriptions of main processes This Annex contains the descriptions of the main processes determining POP environmental behavior used in the participating models. C.1. Gas/particle partitioning EVN-BETR and UK-MODEL The gas-particle partitioning is described with the help of the Finizio Aerosol Partition coefficient KQA. It’s dependence on the octanol-air partition coefficient Koa is depicted by the following formula: KQA = 3.5 · Koa The fugacity capacity of the bulk air compartment can then be written as the sum of the gaseous and particle-bound chemical fraction: (1 – particles in air volume fraction) · Zair + (particles in air volume fraction) · KQA · Zair where Zair - 1/ (R·T) is the fugacity capacity in air; T - corrected environmental temperature for annual mean of 90C; R - gas constant = 8.314 Pa·m3/mol K; Particles in air volume fraction - 2·10-11; Koa = Kow / Kaw -for PCB 153 at the averaged ambient temperature T; Averaged ambient temperature = 9?C (base temperature). CliMoChem cited from [Scheringer et al., 2003] The gas/particle partitioning is calculated as follows [Finizio et al., 1997]: This equation is used to calculate the fraction Phi, which indicates the particle-bound fraction of the substance. Phi-values range from 0-1. in (m3/g) Parameter Description Numeric value Reference tsp Total suspended particles 86.10-6 g/m3 Bennett et al. [2001] only mentioned Phi particle-bound fraction of substance between 0-1 Kh Henry’s law constant depending on substance, See Chapter 3 and Annex B Kow Octanol/water partitioning coefficient depending on substance, See Chapter 3 and Annex B G-CIEMS When Koa is not available as input: Kqa = 6 · 106/Pls, where Kqa is dimensionless particle/gas partition coefficient and Pls is liquid vapour pressure. Final partitioning is calculated with TSP and density of aerosol particles in fugacity format. Vapour pressure is temperature corrected when the temperature is different f