Examinar Artículos, Comunicaciones, Libros por departamento (cas.) "Polímeros y Materiales Avanzados: Física, Química y Tecnología"
Now showing items 21-40 of 285
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Attaining Toughness and Reduced Electrical Percolation Thresholds in Bio-Based PA410 by Combined Addition of Bio-Based Thermoplastic Elastomers and CNTs
(MDPI, 2021-09-05)Multi-walled carbon nanotubes (CNTs) were added to provide electrical conductivity to bio-based polymer blends with improved toughness (based on commercially available Pebax thermoplastic elastomers and bio-based polyamide ... -
Aufbau principle and singlet-triplet gap in spherical Hooke atoms
(Wiley, 2023-02)Singlet and triplet spin state energies for three-dimensional Hooke atoms, that is, electrons in a quadratic confinement, with even number of electrons (2, 4, 6, 8, 10) is discussed using Full-CI and CASSCF type wavefunctions ... -
Bio-based non-isocyanate poly(hydroxy urethane)s (PHU) derived from vanillin and CO2
(Royal Society of Chemistry, 2023-06)As an alternative to the use of hazardous phosgene-based isocyanates for polyurethane preparation, non-isocyanate poly(hydroxy urethanes) (PHU) based on 5-membered cyclic carbonates have been developed. However, to date, ... -
Bio-Based Phosphate-Containing Polyester for Improvement of Fire Reaction in Wooden Particleboard
(MDPI, 2023-02-22)A new phosphate-containing bio-polyester based on glycerol and citric acid was synthesized and evaluated as fire-retardant (FR) in wooden particleboards. Phosphorus pentoxide was used to first introduce phosphate esters ... -
Blends of biodegradable poly(butylene adipate-co-terephthalate) with poly(hydroxi amino ether) for packaging applications: Miscibility, rheology and transport properties
(Elsevier, 2018-08)The improvement of the properties of biodegradable poly(butylene adipate-co-terephthalate) (PBAT) through the addition of poly(hydroxi amino ether) (PHAE) is investigated. Analysis by means of DSC, DMTA, FTIR and TEM ... -
Boosting the Reactivity of Bis-Lactones to Enable Step-Growth Polymerization at Room Temperature
(ACS, 2024-03)The development of new sustainable polymeric materials endowed with improved performances but minimal environmental impact is a major concern, with polyesters as primary targets. Lactones are key monomers thanks to ... -
Building machine learning assisted phase diagrams: Three chemically relevant examples
(AIP, 2022-07)In this work, we present a systematic procedure to build phase diagrams for chemically relevant properties by the use of a semi-supervised machine learning technique called uncertainty sampling. Concretely, we focus on ... -
Can aluminum, a non-redox metal, alter the thermodynamics of key biological redox processes? The DPPH-QH2 radical scavenging reaction as a test case
(Elsevier, 2022-02-01)[EN] The increased bioavailability of aluminum has led to a concern about its toxicity on living systems. Among the most important toxic effects, it has been proven that aluminum increases oxidative stress in biological ... -
Carbon-Doped Co2MnSi Heusler Alloy Microwires with Improved Thermal Characteristics of Magnetization for Multifunctional Applications
(MDPI, 2023-07-29)In the current work, we illustrate the effect of adding a small amount of carbon to very common Co2MnSi Heusler alloy-based glass-coated microwires. A significant change in the magnetic and structure structural properties ... -
Cationically photocured epoxy/polycaprolactone materials processed by solution electrospinning, melt electrowriting and 3D printing: Morphology and shape memory properties
(Elsevier, 2023-08)Epoxy/polycaprolactone (PCL) blends containing cationic photo-initiator were prepared by both solution and melt blending. These materials were processed by solvent casting, solution electrospinning (SE), melt electrowriting ... -
Challenging isodimorphism concepts: Formation of three crystalline phases in Poly(hexamethylene-ran-octamethylene carbonate) copolymers
(ACS, 2023-10)In this work, poly(hexamethylene-ran-octamethylene carbonate) copolycarbonates were synthesized by melt polycondensation in a wide range of compositions. The copolymers displayed some of the characteristic isodimorphic ... -
Characterization and Modification of Red Mud and Ferrosilicomanganese Fines and Their Application in the Synthesis of Hybrid Hydrogels
(MDPI, 2022-10-14)In this work, hybrid hydrogels were synthesized with the inclusion of two types of clay materials that are considered industrial waste: red mud (RM) and ferrosilicomanganese fines (FeSiMn). These solid waste materials were ... -
Chemical Upcycling of PET Waste towards Terephthalate Redox Nanoparticles for Energy Storage
(MDPI, 2021-11-03)Over 30 million ton of poly(ethylene terephthalate) (PET) is produced each year and no more than 60% of all PET bottles are reclaimed for recycling due to material property deteriorations during the mechanical recycling ... -
Chiral and Catalytic Effects of Site-Specific Molecular Adsorption
(American Chemical Society, 2023-02)The changes of properties and preferential interactions based on subtle energetic differences are important characteristics of organic molecules, particularly for their functionalities in biological systems. Only slightly ... -
Choosing Bad versus Worse: Predictions of Two-Photon-Absorption Strengths Based on Popular Density Functional Approximations
(American Chemical Society, 2022-02-08)We present a benchmark study of density functional approximation (DFA) performances in predicting the two-photon-absorption strengths in pi-conjugated molecules containing electron-donating/-accepting moieties. A set of ... -
Class of distorted Landau levels and Hall phases in a two-dimensional electron gas subject to an inhomogeneous magnetic field
(American Physical Society, 2022-10)An analytic closed form solution is derived for the bound states of a two-dimensional electron gas subject to a static, inhomogeneous (1/r in plane decaying) magnetic field, including the Zeeman interaction. The solution ... -
Coexistence of Superconductivity and Spin-Splitting Fields in Superconductor/Ferromagnetic Insulator Bilayers of Arbitrary Thickness
(American Physical Society, 2021-05-19)Ferromagnetic insulators (FI) can induce a strong exchange field in an adjacent superconductor (S) via the magnetic proximity effect. This manifests as spin splitting of the BCS density of states of the superconductor, an ... -
Coherent coupling between vortex bound states and magnetic impurities in 2D layered superconductors
(Nature, 2021-08-03)Bound states in superconductors are expected to exhibit a spatially resolved electron-hole asymmetry which is the hallmark of their quantum nature. This asymmetry manifests as oscillations at the Fermi wavelength, which ... -
Combined DFT and MD Simulation Protocol to Characterize Self-Healing Properties in Disulfide-Containing Materials: Polyurethanes and Polymethacrylates as Case Studies
(Frontiers Media, 2022)[EN] The introduction of dynamic bonds in polymeric materials facilitates the emergence of new functionalities, such as self-healing capacity. Understanding the role of the molecular structure in the efficiency of the ... -
Comment on "Anomalous structural recovery in the near glass transition range in a polymer glass: Data revisited in light of temperature variability in vacuum oven-based experiments"
(Wiley, 2022-08)Recent efforts, fostered by a pioneering work by us, have shown the of multiple steps in the recovery of equilibrium of glasses. Jin and McKenna raise concerns regarding the validity of such scenario alleging that the ...