A Graph Theoretical Intercomparison of Atmospheric Chemical Mechanisms
نویسندگان
چکیده
Graph-theoretical methods have revolutionized the exploration of complex systems across scientific disciplines. Here, we demonstrate their applicability to investigation and comparison three widely used atmospheric chemical mechanisms varying complexity: Master Chemical Mechanism v3.3, GEOS-Chem v12.6, Super-Fast mechanism. We investigate these using a class graphical models known as species-reaction graphs find similarities between reaction other arising in nature. Several graph theoretical properties are consistent mechanisms, including strong dynamical system disequilibrium clustering chemically related species. This formalism also reveals key differences some which characteristics inconsistent with domain knowledge; e.g., isoprene peroxy radical chemistry exhibit substantially different each provide promising set tools for investigating complementing existing computational approaches, potentially opening new avenues discovery.
منابع مشابه
Atmospheric Chemistry and Chemical Mechanisms
INTRODUCTION........................................................................................................................... 1 OVERVIEW OF ATMOSPHERIC VOC OXIDATION ............................................................... 2 CURRENT STATE OF KNOWLEDGE ........................................................................................ 4 Inorganic Reactions.....................
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ژورنال
عنوان ژورنال: Geophysical Research Letters
سال: 2021
ISSN: ['1944-8007', '0094-8276']
DOI: https://doi.org/10.1029/2020gl090481