Simulation analysis of non-linear dynamics in heterogeneous catalytic reactions: from multiple steady states to chaos

• Main Authors: LUO, Yuan-Hong, 羅元宏
• Other Authors: LI, iHsing-Ya
• Format: Others
• Language: zh-TW
• Published: 2018
• Online Access: http://ndltd.ncl.edu.tw/handle/56pn4t

碩士 === 國立聯合大學 === 化學工程學系碩士班 === 106 === 　　A chemical reaction network existing multiple steady states may occur interesting nonlinear dynamic behaviors, such as limit cycle, period-doubling, period-adding, chaos and so on. In this research, we analyze three different reaction networks involving heterogeneous catalysis operated in a continuously stirred tank reactor (CSTR) with isothermal condition. Under the assumption of mass action law, the concentration variation with time for each component can be described by a set of nonlinear ordinary differential equations. Analyze the reaction network by the chemical reaction network toolbox (CRNT). If the system has the possibility to admit multiple steady states, a set of reaction rate constants and two corresponding steady states can be obtained. Then, the reaction rate constants and one of the steady states are input to Matcont for bifurcation analysis. By changing the reaction rate constants and the initial concentrations, some bifurcations can be found, such as Bogdanov-Takens (BT), zero Hopf (ZH), generalized Hopf (GH), period-doubling (PD) and so on. Numerical analysis is implemented by making small changes on parameters near the bifurcation ZH and PD to find Torus and chaos. The dynamic results are plot in the phase diagram. The Lyapunov exponent, Poincare map and power spectrum density are applied to determine chaos and explore its dynamic behavior.