The disposal of large amounts of waste from daily use polymers is among one of the foremost concerns in the current era. Effective utilization of bio-renewable materials procured from natural sources has been proposed as a potential solution to this problem. Among such different polymers, Poly lactic acid (PLA) which is a bio-degradable polymer, resembles quite promotable features, which can be polymerized from sustainable sources as chips sugarcane, starch and corn. Ring-opening polymerization (ROP) of Lactide (LA) monomer considering catalysts such as Al, Sn or Zn is one of the efficient methods for the PLA synthesis. However, the PLA polymerized through this type of catalysts may contain trace elements of the catalyst. Due to their carcinogenic nature, the traces of such catalysts should be (ideally) removed from the synthesis process. The use of alternative energy (AE- UV, Microwave) sources could be a potential route. Alternative development of non-metal catalysts is best alternatives for the processing of PLA through ROP. PLA layer based composite materials are gaining huge interest due to their multiple application (food, medical etc.) as eco-friendly material. In this article, we review on the implementation of AE sources for PLA processing and to populate the current state-of-the-art associated with the PLA research, especially application in nanocomposite materials field

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.

The most commonly used batch process to manufacture PLA is ring opening polymerization (ROP) of lactide monomer in a suitable solvent, in the presence of a metallic/bimetallic catalyst (Sn, Zn, and Al) or other organic catalysts. However, this process does not lend itself to safer/cleaner and high throughput (and high volume) manufacturing. Continuous reactive extrusion of lactide monomer using a suitable reaction input has the potential to increase the throughput, and this route has been explored in the literature. 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 monomer using the microwave as an alternative energy (AE) source for activating and/or boosting the polymerization. Implementation of a microwave generator in a section of the extruder is one of the novelties of this research. A simulation model of ROP of PLA was formulated to estimate the impact of reaction kinetics and AE source on the polymerization process. Ludovic® software was used for the simulation of continuous reactive extrusion of the process. Experimental and simulated results were compared for the validation of the methodology. This work also highlights the advantages and drawbacks of most conventional metal catalysts, the effect of alternative energies on reaction mechanism, and safe and efficient production of PLA.

Motivated by energy security and environmental concerns, policymakers around the world are directing attention to electrified vehicles as a partial solution to reducing fossil fuel consumption and carbon emissions. In recent years, rechargeable Li-ion batteries emerge as an important power source, and their performance highlights the adoption into the automobile electrical vehicles (EV) sector as viable alternatives to combustion engines. The success of market penetration of these environmental-friendly vehicles strongly depends on the industrialization of new energy-storage technologies that must meet at the same time, performances, security, durability and cost requirements. However, the performance of today's battery chemistries relative to the battery weight is a limiting factor – there is a gap to close between today's technology and the requirements of future battery vehicles. The next-generation energy storage systems may be based on novel chemistries, such as all-solid-state, Li-ion, Li-S, and metal-oxygen, to achieve significantly higher energy density. Materials and their interfaces in these batteries are often the key limiting factors and origins of failures. For example, the degradation at the electrolyte-electrode interfaces causes poor cyclability, low capacitance, and premature failure in these new battery systems. It is crucial to focus on research which aligned towards, robust reaction kinetics modelling and its possible validation through experiments and discovering future advanced (Li, Si, Na-ion) batteries based on material chemistry and electrolyte design. To reveal such details, a fuller understanding of how the materials composition interact at the molecular level, which is not investigated in great detail so far is highly recommended by considering cost-effective computational chemistry tools (DFT, MD). Interaction of decomposed electrolyte/salt components with Li-ion is the key source of formation of SEI layer at the anode surfac such as LiF, Li₂CO₃, LiO, etc. To understand the stability and chemistry of SEI layer which is in general very complex, atomic level molecular chemistry simulation were performed. The perfect SEI would be a fast forming, flexible, stable and insoluble species with minimum electronic and maximum ionic conductivity. We use computational techniques to understand the limiting factors- such as reaction kinetics and chemistry involved for solid electrolyte interphase (SEI) growth and failure mechanisms at the interfaces, for the improvement of capacity and power fade to the new energy-storage technologies Fig. 1 [1]. [1] M. Datt Bhatt and C. O’Dwyer, “Recent progress in theoretical and computational investigations of Li-ion battery materials and electrolytes,” Phys. Chem. Chem. Phys., vol. 17, no. 7, pp. 4799–4844, 2015. Figure 1