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Records with Keyword: Polymers
A Fast Computational Framework for the Design of Solvent-Based Plastic Recycling Processes
August 16, 2024 (v2)
Subject: Process Design
Keywords: Life Cycle Analysis, Modelling and Simulations, Polymers, Process Design, Technoeconomic Analysis
Multilayer plastic films are widely used in packaging applications because of their unique properties. These materials combine several layers of different polymers to protect food and pharmaceuticals from external factors such as oxygen, water, temperature, and light. Unfortunately, this design complexity also hinders the use of traditional recycling methods, such as mechanical recycling. Solvent-based separation processes are a promising alternative to recover high-quality pure polymers from multilayer film waste. One such process is the Solvent-Targeted Recovery and Precipitation (STRAPTM) process, which uses sequential solvent washes to selectively dissolve and separate the constituent components of multilayer films. The STRAPTM process design (separation sequence, solvents, operating conditions) changes significantly depending on the design of the multilayer film (the number of layers and types of polymers). Quantifying the economic and environmental benefits of alternative process... [more]
Industrial Biosolids from Waste to Energy: Development of Robust Model for Optimal Conversion Route - Case Study
August 16, 2024 (v2)
Subject: Planning & Scheduling
Modern mechanical recycling infrastructure for plastic is capable of processing only a small subset of waste plastics, reinforcing the need for parallel disposal methods such as landfilling and incineration. Emerging pyrolysis-based chemical technologies can upcycle plastic waste into high-value polymer and chemical products and process a broader range of waste plastics. In this work, we study the economic and environmental benefits of deploying an upcycling infrastructure in the continental United States for producing low-density polyethylene (LDPE) and polypropylene (PP) from post-consumer mixed plastic waste. Our analysis aims to determine the market size that the infrastructure can create, the degree of circularity that it can achieve, the prices for waste and derived products it can propagate, and the environmental benefits of diverting plastic waste from landfill and incineration facilities it can produce. We apply a computational framework that integrates techno-economic analy... [more]
Designing Better Plastic Management Processes Through a Systems Approach
August 16, 2024 (v2)
Subject: Planning & Scheduling
Plastics are widely used for their affordability and versatility across many consumer and industrial applications. However, the end-of-life (EoL) management stage can often lead to releasing hazardous chemical additives and degradation products into the environment. The increasing demand for plastics is expected to increase the frequency of material releases throughout the plastic EoL management activities, creating a challenge for policymakers, including ensuring proper material segregation and disposal management and increasing recycling efficiency and material reuse. This research designed a Python-based EoL plastic management tool to support decision-makers in analyzing the holistic impacts of potential plastic waste management policies. The constructed tool was developed to reduce the complexity of material flow analysis calculations, estimating material releases, and environmental impacts. The utility of the tool was tested through the hypothetical nationwide adoption of an exten... [more]
Design of Plastic Waste Chemical Recycling Process Considering Uncertainty
August 15, 2024 (v2)
Subject: Process Design
Keywords: Design Under Uncertainty, Optimization, Plastic Waste, Polymers, Process Design, Technoeconomic Analysis
Chemical recycling of plastics is a promising technology to reduce carbon footprint and ease the pressure of waste treatment. Specifically, highly efficient conversion technologies for polyolefins will be the most effective solution to address the plastic waste crisis, given that polyolefins are the primary contributors to global plastic production. Significant challenges encountered by plastic waste valorization facilities include the uncertainty in the composition of the waste feedstock, process yield, and product price. These variabilities can lead to compromised performance or even render operations infeasible. To address these challenges, this work applied the robust optimization-based framework to design an integrated polyolefin chemical recycling plant. Data-driven surrogate model was built to capture the separation units behavior and reduce the computational complexity of the optimization problem. It was found that when process yield and price uncertainties were considered, wa... [more]
Three-Dimensional Printing Technologies in Oral Films Manufacturing—A Minireview
January 12, 2024 (v1)
Subject: Biosystems
Keywords: 3D inkjet printing, active pharmaceutical ingredients, buccal drug delivery, extrusion-based 3D printing methods, liquid crystal display 3D printing, oral films, personalized medicine, Polymers
The interest in buccal drug delivery is under consideration due to some distinct properties compared to the traditional pharmaceutical formulations for oral administration: significantly higher bioavailability, a faster absorption rate of the drug, and substantial compliance for special needs patients. Oral films are obtained through various technologies, from conventional tools to 3D and 4D printing approaches. This minireview aims to describe the current additive manufacturing technologies in oral film fabrication, display their advantages and limitations, and discuss various formulation strategies. It also provides advanced data regarding synthetic and natural polymers used in 3D printing technologies for oral films. Moreover, it shows the most recent studies with 3D-printed orodispersible films and mucoadhesive buccal films manufactured through previously analyzed methods. Finally, conclusions and future perspectives are also briefly summarized.
Anode Modification as an Alternative Approach to Improve Electricity Generation in Microbial Fuel Cells
April 11, 2023 (v1)
Subject: Materials
Keywords: anode modification, electrode materials, exoelectrogens, microbial community, microbial fuel cells, nanomaterials, Polymers
Sustainable production of electricity from renewable sources by microorganisms is considered an attractive alternative to energy production from fossil fuels. In recent years, research on microbial fuel cells (MFCs) technology for electricity production has increased. However, there are problems with up-scaling MFCs due to the fairly low power output and high operational costs. One of the approaches to improving energy generation in MFCs is by modifying the existing anode materials to provide more electrochemically active sites and improve the adhesion of microorganisms. The aim of this review is to present the effect of anode modification with carbon compounds, metallic nanomaterials, and polymers and the effect that these modifications have on the structure of the microbiological community inhabiting the anode surface. This review summarizes the advantages and disadvantages of individual materials as well as possibilities for using them for environmentally friendly production of elec... [more]
Thickness Optimization and Photovoltaic Properties of Bulk Heterojunction Solar Cells Based on PFB−PCBM Layer
April 4, 2023 (v1)
Subject: Optimization
Keywords: bulk heterojunction, PFB, Polymers, solar cells, thickness optimization, thin-film
We report on the fabrication and study of bulk heterojunction (BHJ) solar cells based on a novel combination of a donor−acceptor poly(9,9-dioctylfluorenyl-2,7-diyl)-co-(N,N0-diphenyl)-N,N′di(p-butyl-oxy-pheyl)-1,4-diamino-benzene) (PFB) and [6, 6]-phenyl-C61-butyric acid methyl ester (PCBM) blend composed of 1:1 by volume. indium tin oxide (ITO)/poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate (PEDOT:PSS)/PFB−PCBM/Ag BHJ solar cells are fabricated by a facile cost-effective spin-coating technique. The thickness of the active film (PFB−PCBM) plays an important role in the efficiency of light absorption, exciton creation, and dissociation into free charges that results in higher power conversion efficiency (PCE). In order to optimize the PCE as a function of active layer thickness, a number of solar cells are fabricated with different thicknesses of PFB−PCBM films at 120, 140, 160, 180, and 200 nm, and their photovoltaic characteristics are investigated. It is observed that the de... [more]
Permeability Modeling and Estimation of Hydrogen Loss through Polymer Sealing Liners in Underground Hydrogen Storage
March 1, 2023 (v1)
Subject: Modelling and Simulations
Keywords: hydrogen permeability, hydrogen storage, Lined Rock Caverns, Maxwell model, Polymers
Fluctuations in renewable energy production, especially from solar and wind plants, can be solved by large-scale energy storage. One of the possibilities is storing energy in the form of hydrogen or methane−hydrogen blends. A viable alternative for storing hydrogen in salt caverns is Lined Rock Cavern (LRC) underground energy storage. One of the most significant challenges in LRC for hydrogen storage is sealing liners, which need to have satisfactory sealing and mechanical properties. An experimental study of hydrogen permeability of different kinds of polymers was conducted, followed by modeling of hydrogen permeability of these materials with different additives (graphite, halloysite and fly ash). Fillers in polymers can have an impact on the hydrogen permeability ratio and reduce the amount of polymer required to make a sealing liner in the reservoir. Results of this study show that hydrogen permeability coefficients of polymers and estimated hydrogen leakage through these materials... [more]
An Integrated Experimental and Computational Platform to Explore Gas Hydrate Promotion, Inhibition, Rheology, and Mechanical Properties at McGill University: A Review
February 27, 2023 (v1)
Subject: Materials
Keywords: gas hydrates, methane, molecular dynamics, nanofluids, Polymers, viscosity
(1) Background: Gas hydrates are historically notable due to their prevalence and influence on operational difficulties in the oil and gas industry. Recently, new technologies involving the formation of gas hydrates to accomplish various applications have been proposed. This has created new motivation for the characterization of rheological and mechanical properties and the study of molecular phenomena in gas hydrates systems, particularly in the absence of oil and under pre-nucleation conditions. (2) Methodology: This work reviews advances in research on the promotion, inhibition, rheology, and mechanical properties of gas hydrates obtained through an integrated material synthesis-property characterization-multi-scale theoretical and computational platform at McGill University. (3) Discussion: This work highlights the findings from previous experimental work by our group and identifies some of their inherent physical limitations. The role of computational research methods in extending... [more]
10. LAPSE:2023.5977
Innovative Magnetite Based Polymeric Nanocomposite for Simultaneous Removal of Methyl Orange and Hexavalent Chromium from Water
February 23, 2023 (v1)
Subject: Materials
Keywords: environment, nanomaterials, Polymers, water treatment
One of the most important directions for environmental remediation is the effective removal of dyes and toxic heavy metals from water using newly fabricated nanoadsorbents. Here, magnetic Fe3O4 nanoparticles were combined with nitrogen-containing functional group polymers chitosan (CS) and polypyrrole (ppy) to synthesize a nanocomposite (polypyrrole@magnetic chitosan) useful for removing methyl orange (MO) and hexavalent chromium (Cr (VI)) from water. The physicochemical properties of the nanocomposite were determined using SEM, TEM, XRD, FT−IR, and TGA techniques. The effect of different factors on the adsorption system was studied including the contact time, pH, and the effect of co-existed ions. The kinetic study illustrated that the adsorption fit well with Langmuir isotherm. The maximum adsorption capacity of MO and Cr (VI) was found to be 95 and 105 mg/g, respectively. The reusability of the nanocomposite was studied for up to five cycles using 0.1 M NaOH as eluent with a slight... [more]
11. LAPSE:2023.5891
Partially Reduced Graphene Oxide Modified with Polyacrylonitrile for the Removal of Sm3+ from Water
February 23, 2023 (v1)
Subject: Materials
Keywords: Adsorption, nanomaterials, Polymers, samarium ions, water treatment
An in situ emulsion polymerization method was used for the synthesis of polyacrylonitrile nanoparticles amino-functionalized partially reduced graphene oxide (PAN-PRGO). After that, hydrolyzed polyacrylonitrile nanoparticles amino-functionalized partially reduced graphene oxide (HPAN-PRGO) nanocomposite was achieved by the modification of nitrile groups of the composite polymer chains to carboxylic groups, aminoethylene diamine, and amidoxime functional groups through partial hydrolysis using a basic solution of sodium hydroxide for 20 min. Different synthesized materials were characterized and compared using well-known techniques including transmission electron microscope (TEM), scanning electron microscope (SEM), Fourier-transform infrared spectroscopy (FT-IR), Raman spectra, and X-ray diffraction (XRD). The nanocomposite was structured through the interaction between acrylonitrile’s (AN) nitrile groups and amino-functionalized graphene oxide nanosheets’ amino groups to successfully... [more]
12. LAPSE:2023.1723
Removal of Emerging Contaminants from Water Using Cyclodextrin-Based Polymers and Advanced Oxidation Processes: The Case of Carbamazepine
February 21, 2023 (v1)
Subject: Materials
Keywords: adsorbent regeneration, Adsorption, emerging contaminants, photocatalytic degradation, Polymers
Using a water-insoluble β-cyclodextrin-epichlorohydrin copolymer (β-EPI) as an adsorbent to remove carbamazepine (CBZ), an anti-epileptic drug often found both in hospital and urban wastewater, has been validated. The effect of several physicochemical parameters on CBZ retention onto β-EPI, such as contact time, adsorbent dosage, CBZ initial concentration, pH, salts, and temperature, was assessed. The adsorption process occurs in a very short time, less than 20 min, and depends on CBZ concentration and β-EPI amount used. Changes in pH and salt presence, regardless of the type of cation or anion used, do not significantly affect the system’s efficiency. Desorption experiments were also performed, and methanol has proven to be the best CBZ extraction medium; it was also found that the polymer can be recovered and reused for at least five cycles, which makes it cheap and environmentally friendly. Advanced oxidation processes were also tested for CBZ removal by synthesizing a β-EPI polymer... [more]
13. LAPSE:2021.0200
Impact of Hot-Melt-Extrusion on Solid-State Properties of Pharmaceutical Polymers and Classification Using Hierarchical Cluster Analysis
April 16, 2021 (v1)
Subject: Intelligent Systems
Keywords: classification, dendrograms, factor analysis, hot-melt extrusion, Polymers, powders
The impact of hot-melt extrusion (HME) on the solid-state properties of four methacrylic (Eudragit® L100-55, Eudragit® EPO, Eudragit® RSPO, Eudragit® RLPO) and four polyvinyl (Kollidon® VA64, Kollicoat® IR, Kollidon® SR, and Soluplus®) polymers was studied. Overall, HME decreased Tg but increased electrostatic charge and surface free energy. Packing density decreased with electrostatic charge, whereas Carr’s and Hausner indices showed a peak curve dependency. Overall, HME reduced work of compaction (Wc), deformability (expressed as Heckel PY and Kawakita 1/b model parameters and as slope S′ of derivative force/displacement curve), and tablet strength (TS) but increased elastic recovery (ER). TS showed a better correlation with S′ than PY and 1/b. Principal component analysis (PCA) organized the data of neat and extruded polymers into three principal components explaining 72.45% of the variance. The first included Wc, S′ and TS with positive loadings expressing compaction, and ER with n... [more]
14. LAPSE:2018.0433
Comparison of a Novel Miniaturized Screening Device with Büchi B290 Mini Spray-Dryer for the Development of Spray-Dried Solid Dispersions (SDSDs)
August 28, 2018 (v1)
Subject: Process Design
Keywords: amorphous solid dispersions, downscaling, miniaturization, miscibility, Polymers, screening, spray-dryer
Spray-drying is an increasingly popular technology for the production of amorphous solid dispersions (ASDs) in the pharmaceutical industry that is used in the early evaluation and industrial production of formulations. Efficient screening of ASD in the earliest phase of drug development is therefore critical. A novel miniaturized atomization equipment for screening spray-dried solid dispersions (SDSDs) in early formulation and process development was developed. An in-depth comparison between the equipment/process parameters and performance of our novel screening device and a laboratory Büchi B290 mini spray-dryer was performed. Equipment qualification was conducted by comparing the particle/powder attributes, i.e., miscibility/solid state, residual solvent, and morphological properties of binary SDSDs of itraconazole prepared at both screening and laboratory scales. The operating mode of the miniaturized device was able to reproduce similar process conditions/parameters (e.g., outlet t... [more]
15. LAPSE:2018.0371
Solving Materials’ Small Data Problem with Dynamic Experimental Databases
July 31, 2018 (v1)
Subject: Information Management
Keywords: classification, database, informatics, materials, Polymers, processing
Materials processing is challenging because the final structure and properties often depend on the process conditions as well as the composition. Past research reported in the archival literature provides a valuable source of information for designing a process to optimize material properties. Typically, the issue is not having too much data (i.e., big data), but rather having a limited amount of data that is sparse, relative to a large number of design variables. The full utilization of this information via a structured database can be challenging, because of inconsistent and incorrect reporting of information. Here, we present a classification approach specifically tailored to the task of identifying a promising design region from a literature database. This design region includes all high performing points, as well as some points having poor performance, for the purpose of focusing future experiments. The classification method is demonstrated on two case studies in polymeric materia... [more]