Slow invariant manifold assessment for efficient production of H2SO4 by SO2: a computational approach

Journal of Mathematical Chemistry(2024)

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摘要
Sulfur dioxide (SO2) belongs to the highly reactive group of gases familiar as “Oxides of Sulfur”. SO2 has lots of adverse effects on plants, respiratory system and many other environmental issues. Sulfur dioxide is a primary pollutant which is regulated worldwide, due to the combustion of fuel. Different approaches are adopted to economically control the SO2 in the environment which causes the production of sulfuric acid that is reflected in acid rain. The aim of this study is to investigate the invariant regions and solution pathways for the formation of H2SO4 in a multi-step reaction mechanism. The employed Model Reduction Techniques (MRTs) such as Spectral Quasi Equilibrium Manifold (SQEM) and Intrinsic Low Dimensional Manifold (ILDM) give the solution curves, which functions as a primary approximation to invariant manifold. It is achieved that each chemical specie can be assessed rather than taking the overall mechanism. The new discovery suggests that we could achieve the invariant regions for SO2 and H2SO4. SO2 emissions, along with emission norms, will be disclosed. The comparison of MRTs is depicted through tabular and graphical representations, while theoretical results are demonstrated through computer simulations using MATLAB.
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关键词
Mathematical modelling,Model reduction techniques,Slow invariant manifolds,Chemical kinetics
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