Modeling and Parameter Estimation for Gas-Phase Polyethylene Product Properties Using Dynamic and Steady-State Data

IF 1.8 4区 工程技术 Q3 ENGINEERING, CHEMICAL
Lauren A. Gibson, Yan Jiang, Timothy Boller, Hsu Chiang, Kimberley B. McAuley
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引用次数: 0

Abstract

Models are developed for gas-phase ethylene/1-hexene copolymerization using a 3-site hafnocene catalyst. The models accurately predict joint molecular weight distribution and copolymer composition data for 15 semibatch lab-scale copolymerization runs and 6 steady-state pilot-plant copolymerization runs, respectively. Kinetic rate constants and activation energies, which are common to both models, are estimated for the three types of active sites for each reaction in the kinetic scheme. Using parameter subset selection and estimation techniques, it is found that 34 of the 61 parameters should be estimated from the data. Incorporating the pilot-plant data allow for estimation of two parameters, a deactivation rate constant and a β-hydride elimination activation energy, that are not estimable using the lab-scale data alone. At the 95% confidence level, 25 of the 34 parameters are significantly different than zero, which is more than the 19 significant parameter estimates obtained from the lab-scale data alone. Good fits to the data are obtained, as are reliable predictions for a validation run not used in parameter estimation.

Abstract Image

使用动态和稳态数据的气相聚乙烯产品性能建模和参数估计
模型开发气相乙烯/1-己烯共聚使用3位半烯催化剂。这些模型分别准确预测了15个半批量实验室规模共聚运行和6个稳态中试共聚运行的关节分子量分布和共聚物组成数据。对动力学方案中每种反应的三种活性位点的动力学速率常数和活化能进行了估计,这是两种模型共有的。使用参数子集选择和估计技术,发现61个参数中有34个需要从数据中估计。结合中试工厂的数据,可以估计两个参数,失活速率常数和β-氢化物消除活化能,这是无法单独使用实验室规模数据估计的。在95%置信水平下,34个参数中有25个显著不同于零,这比单独从实验室规模数据中获得的19个显著参数估计值要多。获得了与数据的良好拟合,并且对未用于参数估计的验证运行进行了可靠的预测。
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来源期刊
Macromolecular Reaction Engineering
Macromolecular Reaction Engineering 工程技术-高分子科学
CiteScore
2.60
自引率
20.00%
发文量
55
审稿时长
3 months
期刊介绍: Macromolecular Reaction Engineering is the established high-quality journal dedicated exclusively to academic and industrial research in the field of polymer reaction engineering.
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