(491f) Multi-Scale Analysis of Chemical Reactors Using Green's Function Method
AIChE Annual Meeting
Wednesday, November 10, 2021 - 2:35pm to 3:00pm
This work explores a possible integration of the catalyst scale to reactor scale phenomena using the Greenâs function approach; the capability of object-oriented software design is exploited in our work towards putting up a generic modelling and simulation framework based on mass, momentum and energy conservation equations. The manipulation of the general conservation equations based on specific user inputs on the reactor properties is used to arrive at the specific final form of the conservation equations for the chosen reactor type.
In our work we propose an integration of the various phenomena occurring at the reactor scale as well as the catalyst particle scale. The temperature and concentration profiles inside the catalyst particles and inside the reactor yields partial differential equations. Such formulated partial differential equations are conventionally solved using FDM, FEM or FVM. In this paper we adopt a more generalizing approach for solving these equations using Greenâs Function Method.
This paper shows the commonality that exists in the various terms like diffusion, convection and accumulation for catalyst length scale and reactor length scale. Using the example of cylindrical shaped catalyst particles in a two-phase catalytic cylindrical fixed bed reactor, it has been shown that the same Greenâs function approach is applicable at both particle scale and reactor scale.
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