Surrogate-species chemical-reaction mechanism for urban-scale air-quality simulation models. Volume 1. Adaptation of the mechanism. Final report, March 1986-February 1987

A surrogate-species chemical mechanism was refined, evaluated, and adapted for use in air-quality simulation (AQS) models. The refined mechanism was evaluated against data from 491 environmental chamber experiments conducted in indoor and outdoor facilities. Results of the evaluation indicate that the mechanism's predictions are qualitatively and quantitatively consistent with data from a large number of single organic-NOx and multi-organic-NOx experiments. Subsequent to the testing of the mechanism, versions of the mechanism were adapted for use in single-cell models such as OZIPM/EKMA and multi-cell AQS models. Guidelines for using these mechanisms were also developed. The guidelines include specifying procedures for assignments of individual organic species to the chemical classes in the mechanisms and for selecting organic-speciation profiles when ambient data are not available. Volume I describes the adaptation of the mechanism for AQS use; Volume II serves as the user's guide for implementing the mechanism in OZIPM/EKMA or multi-cell AQS.