Computational Fluid Dynamics for Polymerization Reactors

B is a matrix of2(N — 1) x2(N — 1) coefficients that is obtained from the adjacency matrix A. This yields the two priorities per edge, one for each direction, of which the smallest value is the priority. 

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Computational fluid dynamics (CFD) approaches are emerging as alternative detailed tools for examining polymerization systems with complex mixing and reactor components. Recent examples on LDPE cases include Kolhapure and Fox [118], micromixing effects in tubular reactors Zhou etal. [119], tubular (and autoclave) reactors Wells and Ray [120], analysis of imperfect mixing effects applicable to many reactive flow systems, including LDPE autoclaves and Buchelli etal. [121], fouling effects. 

Instead of using compartment models, the flow pattern in the reactor also can be calculated via computational fluid dynamics (CFD). However, when using CFD, relatively small reaction networks are often used to reduce the computational cost. An exception is gas-phase polymerization, such as the production of low-density polyethylene). For more details on the application of CFD calculations for polymerization processes, the reader is referred to Asua and De La Cal (1991), Fox (1996), Kolhapure and Fox (1999), and Pope (2000). 

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