Chemical Mechanism Solvers in Air Quality Models

Chemical Mechanism Solvers in Air Quality Models

The solution of chemical kinetics is one of the most computationally intensive tasks in atmospheric chemical transport simulations. Due to the stiff nature of the system, implicit time stepping algorithms which repeatedly solve linear systems of equations are necessary. This paper reviews the issues and challenges associated with the construction of efficient chemical solvers, discusses several...

Chemical solvers in global atmospheric models

Implementation and evaluation of an array of chemical solvers in a global chemical transport model P. Eller, K. Singh, A. Sandu, K. Bowman, D. K. Henze, and M. Lee Department of Computer Science, Virginia Polytechnic Institute and State University, Blacksburg, VA 24060, USA NASA Jet Propulsion Laboratory, 4800 Oak Grove Drive, Pasadena, CA 91109, USA Earth Institute, Columbia University, 2880 B...

Chemical Data Assimilation for Air Quality Forecasting

Unlike the typical design of data assimilation for numerical weather forecasting, initial value optimisation by chemical data assimilation for air quality simulations were often considered as unessential, as errors in initial values were regarded as of vanishing impact. Rather, air surface interactions, especially emissions are a driving forcing factor, while, at the same time, of insufficient ...

Mathematical Models in Air Quality Problems

Development of a Chemical Speciation Database and Software for Processing VOC Emissions for Air Quality Models

The chemical categories used in volatile organic compound speciation profiles in current emissions databases are inconsistent, include many categories that are not actual compounds, and assignments to these categories to different chemical mechanisms are inconsistent and difficult to update as new mechanisms or profiles are developed. To address this, we developed a chemical speciation database...