Abstract:A computer model was developed for tubular high-pressure polyethylene reactors. Plug flow and absence of axial mixing were assumed. Emphasis was placed on realistic modeling of the reaction kinetics and the variation of physical properties along the reaction coordinate. A good simulation of axial temperature profiles, conversion, molecular weights, molecular weight distribution, and transport properties along the reaction coordinate is believed to have been achieved. The model can be extended readily to cases … Show more
“…The method of moments [23][24][25][26] is based on the statistical representation of the average molecular properties (i.e., number and weight average molecular weights) of the polymer chains in terms of the leading moments of the number chain length distribution (NCLD). The method of double moments [10,27,28] can provide additional information on the number and weight average copolymer composition as well as on the number and weight average degree of long-chain branching.…”
Section: Numerical Methods For the Solution Of Pbesmentioning
A generalized multiscale modeling framework is described for the digital simulation of a high-pressure low-density polyethylene (LDPE) tubular reactor. According to the proposed modeling approach, various models describing the complex physical and chemical phenomena at different length and time scales are linked together to assess the effects of reactor operating conditions on the molecular and rheological behavior of LDPE. The molecular properties of LDPE are determined by employing a comprehensive kinetic scheme. On the basis of the postulated kinetic mechanism, detailed population balance equations (PBEs) are derived describing the conservation of the various macromolecular polymer chains. A review of the potential methods for solving the governing PBEs is presented. In addition, a novel kinetic/topology Monte Carlo method to calculate the molecular and topological properties of the highly branched polymer chains and an advanced rheological model for the calculation of the viscoelastic properties of branched polymers in terms of their respective molecular and topological properties are described.
“…The method of moments [23][24][25][26] is based on the statistical representation of the average molecular properties (i.e., number and weight average molecular weights) of the polymer chains in terms of the leading moments of the number chain length distribution (NCLD). The method of double moments [10,27,28] can provide additional information on the number and weight average copolymer composition as well as on the number and weight average degree of long-chain branching.…”
Section: Numerical Methods For the Solution Of Pbesmentioning
A generalized multiscale modeling framework is described for the digital simulation of a high-pressure low-density polyethylene (LDPE) tubular reactor. According to the proposed modeling approach, various models describing the complex physical and chemical phenomena at different length and time scales are linked together to assess the effects of reactor operating conditions on the molecular and rheological behavior of LDPE. The molecular properties of LDPE are determined by employing a comprehensive kinetic scheme. On the basis of the postulated kinetic mechanism, detailed population balance equations (PBEs) are derived describing the conservation of the various macromolecular polymer chains. A review of the potential methods for solving the governing PBEs is presented. In addition, a novel kinetic/topology Monte Carlo method to calculate the molecular and topological properties of the highly branched polymer chains and an advanced rheological model for the calculation of the viscoelastic properties of branched polymers in terms of their respective molecular and topological properties are described.
“…Over the last few decades, a lengthy list of academicians and industrialists incessantly attempted to establish a unifed tangible understanding of ethylene polymerisation in high-pressure autoclave reactors [21,[58][59][60] and tubular reactors [28,61] mainly because the technical propert ies of polymer products are mainly determined by the conditions of the polymerizat ion reaction. Kiparissides et al [49] reported that low p ressure ionic ethylene poly merization processes have been developed for the production of h igh density polyethylene and mediu m density polyethylene.The process requires low pressure(8-80 at m) and temperatures less than 150 o C using a t ransition metal catalyst of the Ziegler-Natta or Ph illip type.…”
The need to imp rove the performance of the high pressure polymer production process, and timely introduction of new and functionalised products even at reduced production cost which is becoming critical to staying in business has given room for overall studies of the ethylene polymerizat ion process. In this review, emerging issues in the high pressure ethylene polymerization process through free radical approach is unveiled and presented. Different views and approaches of several authors on the tasking issues were compiled, analysed and discussed. Future researchable areas were made clear in this study. Further investigations were also made to model kinetically the high pressure ethylene polymerization react ion in tubular reactors only using mass balances and moment analysis. Although not discussed in this paper, the modeling of heterogeneous polymerization reactions such as precipitation poly merization and emulsion poly merizat ion remains a challenge.
“…Figure 5 shows the flow sheet and reaction conditions of an imperfectly mixed LDPE autoclave. The kinetic parameters used for the simulation are obtained from the available literature (Chen et al, 1976;Goto et al, 1981) and are listed in Table 4. The three reaction zones are assumed to be adiabatic CSTRs under constant pressure, typical of the real industrial autoclaves.…”
Section: Imperfect Mixing In Low-density Polyethylene Autoclavesmentioning
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