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Wyniki wyszukiwania dla: WHEAT STRAW · CHEMICAL-TREATED TORREFACTION · ENERGY DENSITY · OPTIMIZATION · RSM
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Potential energy curves of the doublet Pi and Delta gerade states of the Lithium dimer cation
Dane BadawczeAdiabatic potential energy curves of the doublet Pi and Delta gerade (dPg and dDg) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Potential energy curves of the doublet Pi and Delta ungerade states of the Lithium dimer cation
Dane BadawczeAdiabatic potential energy curves of the doublet Pi and Delta ungerade (dPu and dDu) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Determinants of the surface quality, density and dimensional correctness in selective laser melting of the Ti-13Zr-13Nb alloy
PublikacjaSelective laser melting is widely used for custom-designed elements. Successful manufacturing depends on laser treatment parameters and material features. This research aimed to determine the effects of laser power, scan time and hatch distance on surface quality, relative density and dimensional precision for cuboids made of the Ti-13Zr-13Nb alloy. The influence of energy density, energy flux and pre-heating was seen to be decisive...
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Optimization of Nuclear Power Share in the Structure of Electricity Production in Poland in Time Perspective by 2060
PublikacjaThe author of this paper presented the results of a system analysis using MARKAL model, aiming at the optimization of nuclear power share in power generation structure in Poland in time perspective by 2060. Optimization criterion is the minimization of the objective function, i.e. the total cost of energy system, taking into account constraints related to CO2, SOx and NOx emissions and obligatory shares of electricity from renewable...
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Looking for a minimum exergy destruction in hierarchical cycle
PublikacjaThe paper presents results of energy analysis, complemented with an exergy balance, of hierarchical thermodynamic cycle. Proposed cycle is a binary vapour cycle based on a model of real supercritical steam power plant. Energy analysis is used to preliminary optimization of the cycle and the exergy losses analysis is proposed to perform optimization of heat transfer processes, which are essential for hierarchical cycles. Proposed...
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The instantaneous frequency rate spectogram
PublikacjaAn accelerogram of the instantaneous phase of signal components referred to as an instantaneous frequency rate spectrogram (IFRS) is presented as a joint time-frequency distribution. The distribution is directly obtained by processing the short-time Fourier transform (STFT) locally. A novel approach to amplitude demodulation based upon the reassignment method is introduced as a useful by-product. Additionally, an estimator of energy...
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The ONETEP linear-scaling density functional theory program
PublikacjaWe present an overview of the ONETEP program for linear-scaling density functional theory (DFT) calculations with large basis set (planewave) accuracy on parallel computers. The DFT energy is computed from the density matrix, which is constructed from spatially localized orbitals we call Non-orthogonal Generalized Wannier Functions (NGWFs), expressed in terms of periodic sinc (psinc) functions. During the calculation, both the...
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Optical and chemical characterization of thin TiNx films deposited by DC-magnetron sputtering
PublikacjaThin titanium nitride (tinx) films were deposited on silicon substrates by means of a reactive dc-magnetron plasma. Layers were synthesized under various conditions of discharge power and nitrogen flows in two operation modes of the magnetron (the so-called "balanced" and "unbalanced" modes). The optical constants of the tinx films were investigated by spectroscopic ellipsometry (se). X-ray photoelectron spectroscopy (xps) was...
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Hydrogen Production Mechanism in Low-Temperature Methanol Decomposition Catalyzed by Ni3Sn4 Intermetallic Compound: A Combined Operando and Density Functional Theory Investigation
PublikacjaHydrogen production from methanol decomposition to syngas (H2 + CO) is a promising alternative route for clean energy transition. One major challenge is related to the quest for stable, cost-effective, and selective catalysts operating below 400 °C. We illustrate an investigation of the surface reactivity of a Ni3Sn4 catalyst working at 250 °C, by combining density functional theory, operando X-ray absorption spectroscopy, and high-resolution...
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Marek Czachor prof. dr hab.
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Energy-Aware High-Performance Computing: Survey of State-of-the-Art Tools, Techniques, and Environments
PublikacjaThe paper presents state of the art of energy-aware high-performance computing (HPC), in particular identification and classification of approaches by system and device types, optimization metrics, and energy/power control methods. System types include single device, clusters, grids, and clouds while considered device types include CPUs, GPUs, multiprocessor, and hybrid systems. Optimization goals include various combinations of...
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ON DYNAMICS OF ELASTIC NETWORKS WITH RIGID JUNCTIONS WITHIN NONLINEAR MICRO-POLAR ELASTICITY
PublikacjaWithin the nonlinear micropolar elasticity we discuss effective dynamic (kinetic) properties of elastic networks with rigid joints. The model of a hyperelastic micropolar continuum is based on two constitutive relations, i.e., static and kinetic ones. They introduce a strain energy density and a kinetic energy density, respectively. Here we consider a three-dimensional elastic network made of three families of elastic fibers connected...
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Determination of the effective concentration of oxyteracycline solutions on the inhibition of bioluminescence of Vibrio fischeri (Microtox)
Dane BadawczeIn this study an attempt was made to determine the effective concentration for oxytetracycline solutions on the inhibition of bioluminescence of Vibrio fischeri (Microtox).
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Power balance in hydraulic satellite motors supplied with oil and HFA-E emulsion
PublikacjaMineral oil and HFA-E emulsion are liquids which differ in viscosity, density and lubricant properties. Therefore, supplying hydraulic satellite motors with these liquids, differences between quantity of hydraulic, volumetric and mechanical losses are observed. These losses influence efficiency of conversion of hydraulic energy into mechanical energy and thereby power balance of motors.
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Effect of high loading of titanium dioxide particles on the morphology and selected properties of natural rubber-based composites
PublikacjaThe aim of this work was to prepare and characterize the natural rubber vulcanizates contained different amounts of titanium dioxide particles. At first rubber mixture was prepared using a laboratory two-roll mill and then samples were vulcanized in a hydraulic press. The formulation of rubber mixture and rubber-processing technique is based on our earlier investigations. Materials were obtained at the different titanium dioxide...
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On low-fidelity models for variable-fidelity simulation-driven design optimization of compact wideband antennas
PublikacjaThe paper addresses simulation-driven design optimization of compact antennas involving variable-fidelity electromagnetic (EM) simulation models. Comprehensive investigations are carried out concerning selection of the coarse model discretization density. The effects of the low-fidelity model setup on the reliability and computational complexity of the optimization process are determined using a benchmark set of three ultra-wideband...
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Wprowadzenie do analiz egzergetycznych, PG_00059783
Kursy OnlineThe aim of the course is to present the basic issues to carry out the balance of exergy and entropy in addition to the balance of mass and energy. To show the definition of the maximum work that a certain matter can do in a thermodynamic process when transitioning to equilibrium with its surroundings. To refer to chemical exergy and show the application of the exergy balance to define losses in a thermodynamic cycle.
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Advances and Trends in Non-Conventional, Abrasive and Precision Machining 2021
PublikacjaIn the modern, rapidly evolving industrial landscape, the quest for machining and production processes consistently delivering superior quality and precision is more pronounced than ever. This necessity and imperative are driven by the increasing complexity in the design and manufacturing of mechanical components, an evolution in lockstep with the swift advancements in material science. The real challenge of this evolution lies...
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Stochastic optimisation algorithm for optimisation of controller parameters for control of dissolved oxygen in wastewater treatment plant
PublikacjaWastewater treatment plants (WWTPs) are very important facilities for mankind. They enable the removal and neutralisation of man-made pollutants. Therefore, it is important for wastewater treatment plants to operate as efficiently as possible so that the level of pollutants in the treated wastewater meets specific requirements. This paper concerns the design of a hierarchical nonlinear adaptive control system for dissolved oxygen...
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XPS data of deuterium and hydrogen grown boron-doped diamond
Dane BadawczeThe high-resolution C1s X-ray absorption spectra of BDD@H and BDD@D samples were measured using the facilities of the HE-SGM beamline (HE-SGM) at the BESSY II synchrotron radiation source of Helmholtz–Zentrum Berlin (HZB).[90] The measurements were carried out under ultra-high vacuum conditions: P ≈ 2×10−9 Torr at T = 300 K. The NEXAFS spectra were...
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Designing efficient A-D-A1-D-A type fullerene free acceptor molecules with enhanced power conversion efficiency for solar cell applications
PublikacjaThe achievement of highly efficient power conversion efficiency (PCE) is a big concern for non-fullerene organic solar cells (NF-OSCs) because PCE can depend on numerous variables. Here, new five novel acceptor molecules without fullerenes were developed and investigated using DFT (density functional theory) and TD-DFT (time dependent-density functional theory). Compared to the recently synthesized molecule (PZ-dIDTC6), the developed...
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Insights into the microbial community of treated wastewater, its year-round variability and impact on the receiver, using cultivation, microscopy and amplicon-based methods
PublikacjaApart from chemical constituents, wastewater treatment plant (WWTP) effluents also release microorganisms that can be important to the receiving water bodies either from a sanitary point of view, or taking to the account the biogeochemical potential of the recipients. However, little is known about the treated wastewater microbial community, its composition, seasonal changes, functions and fate in the waters of the receiver. Thus,...
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Excitation of Non-Wave Modes by Sound of Arbitrary Frequency in a Chemically Reacting Gas
PublikacjaThe nonlinear phenomena in the field of high intensity sound propagating in a gas with a chemical reaction, are considered. A chemical reaction of A → B type is followed by dispersion and attenuation of sound which may be atypical during irreversible thermodynamic processes under some conditions. The first and second order derivatives of heat produced in the chemical reaction evaluated at the equilibrium temperature, density and...
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Surface modification of PMMA polymer and its composites with PC61BM fullerene derivative using an atmospheric pressure microwave argon plasma sheet
PublikacjaThis paper presents the results of experimental investigations of the plasma surface modification of a poly(methyl methacrylate) (PMMA) polymer and PMMA composites with a [6,6]-phenyl-C61-butyric acid methyl ester fullerene derivative (PC61BM). An atmospheric pressure microwave (2.45 GHz) argon plasma sheet was used. The experimental parameters were: an argon (Ar) flow rate (up to 20 NL/min), microwave power (up to 530 W), number...
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Autocorrelation function for the chosen effective potential of the diatomic silver anion
Dane BadawczeThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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Możliwości ograniczenia zużycia energii napędowej urządzeń przez optymalizację doboru wymienników ciepła, właściwą konfigurację i kontrolę przepływu płynów roboczych
PublikacjaArtykuł poświęcony możliwości ograniczenia zużycia energii napędowej urządzeń na drodze optymalizacji doboru wymienników ciepła, właściwej konfiguracji i kontroli przepływu płynów roboczych. Przedstawiono w nim ocenę zużycia energii w systemach energetycznych o największej energochłonności w realiach Polski. Zwrócono uwagę na możliwość wykorzystania wymienników ciepła o wysokiej efektywności dla zmniejszenia oporu przenoszenia...
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Application of MARKAL model to optimisation of electricity generation structure in Poland in the long-term time horizon Part I - concept of the model
PublikacjaIn this paper, which inaugurates a series of papers on this subject, a concept is proposed of a power system development model with regard to the technological structure of electricity generation in Poland, in the long-term time perspective – until 2060. The model is based on the mathematical structure of the MARKAL optimization package. The paper presents a brief description of the tool used in the model research. In addition,...
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Complex multidisciplinary optimization of turbine blading systems
PublikacjaThe paper describes the methods and results of direct optimization of turbine blading systems using a software package Opti_turb. The final shape of the blading is obtained from minimizing the objective function, which is the total energy loss of the stage, including the leaving energy. The current values of the objective function are found from 3D RANS computations (from a code FlowER) of geometries changed during the process...
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Potential energy curves and spectroscopic parameters of the diatomic silver anion and neutral silver dimer
Dane BadawczeThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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The Effect of C45 Carbon Black-Phosphomolybdic Acid Nanocomposite on Hydrogenation and Corrosion Resistance of La2Ni9Co Hydrogen Storage Alloy
PublikacjaIn this paper, we analysed the influence of corrosion processes and the addition of a carbon black-heteropoly phosphomolybdic acid (C45-MPA) nanocomposite on the operating parameters of a hydride electrode obtained on the basis of the intermetallic compound La2Ni9Co. The electrochemical properties of negative electrodes for NiMH batteries were studied using galvanostatic charge/discharge curves, the potentiostatic method, and electrochemical...
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From polymer waste to potential main industrial products: Actual state of recycling and recovering
Publikacjalastics have become widely used materials in everyday life due to their special properties such as durability, easy processing, light-weight and low-cost of production. However, because of their stable and non-biodegradable nature, postconsumer plastics become an issue to the environment. The growing amounts of waste are generated, as plastic products are commonly used only once before disposal. The alternatives of practical techniques...
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Nanostructure and dielectric behavior of vanadate glasses containing BaTiO3
PublikacjaThe ac and dc electrical conductivity of barium titanate doped bismuth-vanadate as-quenched and heat-treated materials was measured in the frequency range from 1 mHz to 1 MHz and in the temperature range from 153 K to 423 K with the impedance spectroscopy method. The microstructure was investigated by means of XRD, scanning electron microscopy (SEM), atomic force microscopy (AFM) and confocal microscopy. The obtained results showed...
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Local material symmetry group for first- and second-order strain gradient fluids
PublikacjaUsing an unified approach based on the local material symmetry group introduced for general first- and second-order strain gradient elastic media, we analyze the constitutive equations of strain gradient fluids. For the strain gradient medium there exists a strain energy density dependent on first- and higher-order gradients of placement vector, whereas for fluids a strain energy depends on a current mass density and its gradients....
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Multi-objective optimization of tool wear, surface roughness, and material removal rate in finishing honing processes using adaptive neural fuzzy inference systems
PublikacjaHoning processes are usually employed to manufacture combustion engine cylinders and hydraulic cylinders. A crosshatch pattern is obtained that favors the oil flow. In this paper, Adaptive Neural Fuzzy Inference System (ANFIS) models were obtained for tool wear, average roughness Ra, cylindricity and material removal rate in finish honing processes. In addition, multi-objective optimization with the desirability function method...
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Non-Coaxially Rotating Motion in Casson Martial along with Temperature and Concentration Gradients via First-Order Chemical Reaction
PublikacjaThe effect of non-coaxial rotation on the transport of mass subjected to first-order chemical reaction is studied analytically. The effects of thermal radiation, buoyancy, constructive and destructive chemical reactions along with Casson fluid in rotating frame are discussed. Time evolution of primary and secondary velocities, energy and solute particles are analyzed. The behavior of flow under the variation of intensity of magnetic...
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Studies of Nonlinear Sound Dynamics in Fluids Based on the Caloric Equation of State
PublikacjaThe sound speed and parameters of nonlinearity B/A, C/A in a fluid are expressed in terms of coefficients in the Taylor series expansion of an excess internal energy, in powers of excess pressure and density. That allows to conclude about features of the sound propagation in fluids, the internal energy of which is known as a function of pressure and density. The sound speed and parameters of nonlinearity in the mixture consisting...
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Chaotic Dynamics and Bifurcations in Impact Systems
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Chemical, thermal and laser processes in recycling of photovoltaic silicon solar cells and modules
PublikacjaIn recent years, photovoltaic power generation systems have been gaining unprecedented attention as an environmentally beneficial method to solve the energy problem. From the economic point of view the pure silicon, which can be recapture from the used cells, is the most important material due to its cost and shortage. In the paper selected methods of used or damaged module and cells recycling and experimental results are presented....
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Diaryl Sulfide Derivatives as Potential Iron Corrosion Inhibitors: A Computational Study
PublikacjaThe present work aimed to assess six diaryl sulfide derivatives as potential corrosion inhibitors. These derivatives were compared with dapsone (4,4′-diaminodiphenyl sulfone), a common leprosy antibiotic that has been shown to resist the corrosion of mild steel in acidic media with a corrosion efficiency exceeding 90%. Since all the studied compounds possess a common molecular backbone (diphenyl sulfide), dapsone was taken as the...
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Assessment of the Feasibility of Energy Transformation Processes in European Union Member States
PublikacjaThe energy transition is now treated in most countries as a necessary condition for their long-term development. The process of energy transformation assumes the simultaneous implementation of the Sustainable Development Goals, which are a major challenge for modern economies and introduce significant restrictions in their functioning. Our study aims to group EU member states according to their ability to achieve energy transition...
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Low-Power WSN System for Honey Bee Monitoring
PublikacjaThe paper presents a universal low-power system for biosensory data acquisition in scope of bees monitoring. We describe the architecture of the system, energy-saving components as well as we discuss the selection of used sensors. The work focuses on energy optimization in a scope of wireless communication. A custom protocol was implemented, which is the basis for presented energy-efficient devices. Data exchange process during...
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Surface Treatment of Rubber Waste
PublikacjaThis chapter deals with the study of different approaches to improve the compatibility of waste rubber with polymeric matrixes of high density polyethylene (HDPE) by using surface treatments to increase adhesion. Different surface treatments such as etching with sulphuric and nitric acids, the use of a silane as a coupling agent and chlorination with trichloroisocyanuric acid (TCI) have been applied. The modification of waste rubber...
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Effects of n-butanol presence, inlet loading, empty bed residence time and starvation periods on the performance of a biotrickling filter removing cyclohexane vapors from air
PublikacjaThis paper presents the results of investigations on the removal of cyclohexane vapors from air using a peat-perlite packed biotrickling filter. Effects of basic process parameters i.e. IL (inlet loading) and EBRT (empty bed residence time) as well as introduction of n-butanol to the treated air stream and starvation periods on the process performance were evaluated. The results show that the introduction of hydrophilic n-butanol...
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Born-Oppenheimer potential energy curves of the NaK molecule
Dane BadawczeAdiabatic potential energy curves (APEC) of the singlet (s) and triplet (t) Sigma+, Pi, and Delta electronic states have been calculated for the NaK molecule. All results of the presented molecular states have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Selection of energy storage units by genetic algorithm for mitigating voltage deviations
PublikacjaIn recent years, energy storage units have become very popular. They are applied both for economic and technical purposes. Unfortunately, the cost of such devices is still high and selecting their proper location and rated power have to be performed precisely. In this paper, a Genetic-Algorithm-based optimization method for selecting the best configuration of energy storage units in the power network is proposed. The presented...
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Losses and power balance in hydraulic satellite motor supplied with oil and HFA-E emulsion
PublikacjaMineral oil and HFA-E emulsion are liquids which differ in viscosity, density and lubricant properties. Therefore, supplying hydraulic satellite motor with these liquids, differences between quantity of hydraulic, volumetric and mechanical losses are observed. These losses influence efficiency of conversion of hydraulic energy into mechanical energy and thereby power balance of motor. The research of satellite motor has been conducted...
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The study on application of biopolyols obtained by cellulose biomass liquefaction performed with crude glycerol for the synthesis of rigid polyurethane foams
PublikacjaIn this work rigid polyurethane foams (PUR) were obtained by replacement of 0–70 wt% of petrochemical polyol with bio-polyol obtained via cellulose liquefaction in presence of crude glycerol. The foams with different content of a bio-polyol were prepared by single step method for NCO/OH ratio equals 1.5. The prepared materials were analyzed in terms of their morphology, chemical structure, thermal stability and basic physical and...
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Easy formation of acyl-Meldrum's acid anhydride
PublikacjaAcyl Meldrum's acid are usually a good source of ketenes upon definite thermal composition. However we treated acyl-Meldrum's acid with the Lewis acid and we observed formation of 5[[(2,2-dimethyl-4,6-dioxo-1,3-dioxan 5 ylidene)(acyl/arylamino)mathoxy](acyl/arylamino)methylene]-2,2dimethyl-1,3-dioxane-4,6 dione which means acyl-Meldrum's acid anhydride. The chemical properities of acyl-Meldrum's acid anhydride were explored.
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Chemically Selective Alternatives to Photoferroelectrics for Polarization-Enhanced Photocatalysis: The Untapped Potential of Hybrid Inorganic Nanotubes
PublikacjaLinear-scaling density functional theory simulation of methylated imogolite nanotubes (NTs) elucidates the interplay between wall-polarization, bands separation, charge-transfer excitation, and tunable electrostatics inside and outside the NT-cavity. The results suggest that integration of polarization-enhanced selective photocatalysis and chemical separation into one overall dipole-free material should be possible.
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On the peculiarities of anti-plane surface waves propagation for media with microstructured coating
PublikacjaWe discuss new type of surface waves which exist in elastic media with surface energy. Here we present the model of a coating made of polymeric brush. From the physical point of view the considered model of surface elasticity describes a highly anisotropic surface coating. Here the surface energy model could be treated as 2D reduced strain gradient continuum as surface strain energy depends on few second spatial derivatives of...