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Modelling and validation of synthesis of poly lactic acid using an alternative energy source through a continuous reactive extrusion process

机译:使用替代能源通过连续反应挤出工艺对聚乳酸合成进行建模和验证

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摘要

PLA is one of the most promising bio-compostable and bio-degradable thermoplastic polymers made from renewable sources. PLA is generally produced by ring opening polymerization (ROP) of lactide using the metallic/bimetallic catalyst (Sn, Zn, and Al) or other organic catalysts in a suitable solvent. In this work, reactive extrusion experiments using stannous octoate Sn(Oct)2 and tri-phenyl phosphine (PPh)3 were considered to perform ROP of lactide. Ultrasound energy source was used for activating and/or boosting the polymerization as an alternative energy (AE) source. Ludovic® software, designed for simulation of the extrusion process, had to be modified in order to simulate the reactive extrusion of lactide and for the application of an AE source in an extruder. A mathematical model for the ROP of lactide reaction was developed to estimate the kinetics of the polymerization process. The isothermal curves generated through this model were then used by Ludovic software to simulate the “reactive” extrusion process of ROP of lactide. Results from the experiments and simulations were compared to validate the simulation methodology. It was observed that the application of an AE source boosts the polymerization of lactide monomers. However, it was also observed that the predicted residence time was shorter than the experimental one. There is potentially a case for reducing the residence time distribution (RTD) in Ludovic® due to the ‘liquid’ monomer flow in the extruder. Although this change in parameters resulted in validation of the simulation, it was concluded that further research is needed to validate this assumption. View Full-Textud
机译:PLA是由可再生资源制成的最有前途的可生物降解和可生物降解的热塑性聚合物之一。 PLA通常通过在适当的溶剂中使用金属/双金属催化剂(Sn,Zn和Al)或其他有机催化剂通过丙交酯的开环聚合(ROP)来生产。在这项工作中,使用辛酸亚锡Sn(Oct)2和三苯基膦(PPh)3的反应挤出实验被认为可以进行丙交酯的ROP。超声能源被用作活化和/或促进聚合反应的替代能源(AE)。为了模拟丙交酯的反应性挤出以及在挤出机中应用AE源,必须修改为模拟挤出过程而设计的Ludovic®软件。建立了丙交酯反应的ROP的数学模型,以估算聚合过程的动力学。然后通过Ludovic软件使用通过该模型生成的等温曲线来模拟丙交酯ROP的“反应性”挤出过程。比较了来自实验和模拟的结果,以验证模拟方法。观察到,AE源的应用促进了丙交酯单体的聚合。然而,还观察到预测的停留时间短于实验时间。由于挤出机中的“液体”单体流动,可能会降低Ludovic®中的停留时间分布(RTD)。尽管参数的这种变化导致了仿真的验证,但结论是,需要进一步的研究来验证该假设。查看全文 ud

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