A flexible treatment for gas- and aerosol-phase chemical processes has been developed for models of diverse scale, from box models up to global models. At the core of this novel framework is an "abstracted aerosol representation" that allows a given chemical mechanism to be solved in atmospheric models with different aerosol representations (e.g., sectional, modal, or particle-resolved). This is accomplished by treating aerosols as a collection of condensed phases that are implemented according to the aerosol representation of the host model. The framework also allows multiple chemical processes (e.g., gas- and aerosol-phase chemical reactions, emissions, deposition, photolysis, and mass-transfer) to be solved simultaneously as a single system. The flexibility of the model is achieved by (1) using an object-oriented design that facilitates extensibility to new types of chemical processes and to new ways of representing aerosol systems; (2) runtime model configuration using JSON input files that permits making changes to any part of the chemical mechanism without recompiling the model; this widely used, human-readable format allows entire gas- and aerosol-phase chemical mechanisms to be described with as much complexity as necessary; and (3) automated comprehensive testing that ensures stability of the code as new functionality is introduced. Together, these design choices enable users to build a customized multiphase mechanism, without having to handle pre-processors, solvers or compilers. This new treatment compiles as a stand-alone library and has been deployed in the particle-resolved PartMC model and in the MONARCH chemical weather prediction system for use at regional and global scales. Results from the initial deployment will be discussed, along with future extension to more complex gas-aerosol systems, and the integration of GPU-based solvers.
翻译:对气溶胶和气溶胶化学过程的灵活处理方法已经为从箱式模型到全球模型等不同规模的模型开发了灵活的处理方法。在这个新框架的核心是“吸引的气溶胶代表制”这一“吸引的气溶胶代表制”这一新的框架的核心是“吸引的气溶胶代表制”,它使得一种特定化学机制能够在气溶胶代表制不同的大气模型中得到解决(如部门性、模式性或粒溶胶溶解式)。通过将气溶胶作为根据主机气溶胶代表制模型实施的一个浓缩阶段的集合来对待气溶胶和气溶胶化学过程。这个框架还允许多种化学过程(如气溶胶和气溶胶气溶胶化学反应、排放、沉降、沉降、光解和大规模转移)同时作为一个单一系统加以解决。这个模型的灵活性在于:(1) 使用一种面向目标的设计,促进对新型化学过程的延续性,利用JSONN输入文件,允许对任何部分的化学模型机制进行修改,但不重校正;这一广泛使用的、可读和可读格式使整个气体和气溶胶储存库的化学过程的化学过程能够以非常复杂的方式在内部进行解释;这些系统,作为共同的推进的系统,并测试的系统,确保这些系统能够稳定,并测试和自动地使用。和自动测试的系统,使这些系统在逐步地进行下去的系统,使用户的稳定性,使这些推进过程的稳定性和自动测试化过程得以进行。