Sensitivity analysis, using atmospheric chemical transport models quantifies how specific emissions influence pollutant concentrations. This information is especially useful for policy makers who must make informed decisions about how to control pollutants that affect our health and environment. The multicomplex step method is a sensitivity analysis tool that may be used to calculate first and higher-order sensitivities of a nonlinear algorithm with analytical accuracy. Therefore, it is more accurate and user-friendly than the well-known finite difference method though equally straightforward. The equilibrium thermodynamic model, ISORROPIA, which treats ammonium, chloride, nitrate, sodium, and sulfate was augmented to leverage the multicomplex step method. ISORROPIA-MCX can be used to analyze the influence the total amount of a pollutant has on aerosol and gas phase concentrations. When evaluating the impact of changes in input parameters on an output variable, including the second-order and cross-sensitivity terms in the Taylor Series expansion increases the accuracy of the estimated effect when the functions are nonlinear. Since ISORROPIA encodes highly nonlinear processes with a fractured solution surface, the advantages of the multicomplex step method are especially evident in this modeling framework. This contribution represents the first application of the multicomplex step approach in an atmospheric chemistry model. Furthermore, this technique is likely to be valuable in regional or global chemical transport models where ISORROPIA is used.
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Title
ISORROPIA-MCX
Creators
Bryan Chardak Berman
Contributors
Shannon L. Capps (Advisor)
Awarding Institution
Drexel University
Degree Awarded
Master of Science (M.S.)
Publisher
Drexel University; Philadelphia, Pennsylvania
Number of pages
vii, 37 pages
Resource Type
Thesis
Language
English
Academic Unit
Civil (and Architectural) Engineering [Historical]; College of Engineering (1970-2026); Drexel University