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Wyniki wyszukiwania dla: crystal structure determination
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Relationship between electronic structure and geometry of silanethiols and their derivatives. Elucidation of copper group silanethiolates
PublikacjaWyznaczono strukturę elektronową wybranych silanotioli X3SiSH (dla X=H, C2H5, OCH3, F, Cl i Br) oraz powstalych z nich anionów. Geometrię i funkcje falowe wyznaczono przy użyciu teorii funcjonałów gęstości elektronowej DFT. Przeanalizowano wpływ efektów anomerycznych oraz wielkości calki nakładania sigma(Si-S) na obserwowane skrócenie wiązania Si-S przy deprotonowaniu silanotioli. Podano nowe wyjaśnienie wyjątkowo niskiej kwasowości...
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Finite element modelling of a historic church structure in the context of a masonry damage analysis
PublikacjaThe paper includes a case study of modelling a real historic church using the finite element method (FEM) based on laser scans of its geometry. The main goal of the study was the analysis of the causes of cracking and crushing of masonry walls. An FEM model of the structure has been defined in ABAQUS. A non-linear dynamic explicit analysis with material model including damage plasticity has been performed. A homogenization procedure...
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Implementation of multicriteria decision analysis in design of experiment for dispersive liquid-liquid microextraction optimization for chlorophenols determination
PublikacjaA novel and efficient approach to optimization of extraction step prior the chromatographic determination of nine chlorinated phenols is described. It is based on the combination of design of experiments and multicriteria decision analysis. Such an approach is used to optimize dispersive liquid-liquid microextraction procedure for the determination of 9 chlorophenols in water samples. Three parameters are optimized – sample volume,...
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A structure and simulation-driven design of compact CPW-fed UWB antenna
PublikacjaIn this letter, a structure of a miniaturized ultra-wideband CPW-fed antenna and its design proce-dure are presented. The antenna is a modified version of the design previously proposed in the literature, with additional degrees of freedom introduced in order to improve the structure flexibility. The small size is achieved by executing a rigorous optimization procedure that consists of two stages: (i) smart random search carried...
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Multicriteria Decision Analysis and Grouping of Analytical Procedures for Phthalates Determination in Disposable Baby Diapers
PublikacjaThis study presents the application of one of the tools from the multicriteria decision analysis set (MCDA), the Technique for Order Preference by Similarity to Ideal Solution (TOPSIS). Selected green analytical chemistry metrics were used to rank analytical procedures for the phthalate determination in disposable baby diapers. Nine analytical procedures were assessed in order to find one that has the lowest environmental impact...
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The effect of adding a standard on the result of determination of polychlorinated biphenyls in bottom sediment samples
PublikacjaBottom sediments are a very important component of aquatic ecosystems. The sediment matrix is highly diverse and heterogeneous; in consequence, compounds entering the aquatic environment from different sources are considerably enriched at its surface. Bottom sediments are regarded as natural sorbents, since they accumulate many harmful substances, such as heavy metals and stable organic contaminants.Extraction is a key stage in...
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Determination of Odour Interactions of Three-Component Gas Mixtures Using an Electronic Nose
PublikacjaThe paper presents an application of an electronic nose prototype comprised of six TGS-type sensors and one PID-type sensor to identify odour interaction phenomena in odorous three-component mixtures. The investigation encompassed eight odorous mixtures—toluene-acetone-triethylamine and formaldehyde-butyric acid-pinene — characterized by different odour intensity and hedonic tone. A principal component regression (PCR) calibration...
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Determination of chlorinated solvents in industrial water and wastewater by DAI- GC-ECD
PublikacjaA very simple and quick analytical method, basedon direct aqueous injection, for determination of halogenatedsolvents in refinery water and wastewater, is described.There is a need to determine halogenated solvents in refinerywater streams, because they may originate from severalprocesses. There is also a need to develop methods enablingVOX to be determined in samples containing oil fractions.The method described enables simultaneous...
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Comprehensive Investigation of Stoichiometry–Structure–Performance Relationships in Flexible Polyurethane Foams
PublikacjaPolyurethane (PU) foams are versatile materials with a broad application range. Their performance is driven by the stoichiometry of polymerization reaction, which has been investigated in several works. However, the analysis was often limited only to selected properties and compared samples differing in apparent density, significantly influencing their performance. In the bigger picture, there is still a lack of comprehensive studies...
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Corporate Governance and Ownership Structure in the Top 30 Listed Non Financial Companies in Poland
PublikacjaThis paper offers a first analysis of the relationships between corporate governance models and rules and ownership structure of the top 30 Polish firms listed at the WSE (not considering foreign firms and/or the Polish branches of foreign firms listed at the same stock exchange, nor the financial companies and the banks). The general picture depicted by this analysis is putting into evidence the increasing importance of institutional...
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Volatile Organohalogen Compounds Determination with Dispersive Liquid-Liquid Microextraction Applying Solvent Lighter than Water
PublikacjaBackground: Volatile organohalogen compounds (VOX) are a group of environmental pollutants that risk the quality of drinking water. These compounds are characterized by certain acute and chronic toxicities, possessing mutagenic properties. Because of these potential risks factors that these compounds cause, the maximum allowable concentrations (MACs) have been established by respective organizations. The abundance of VOX, their...
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Multianalyte Calibration Methods for Potentiometric Integrated Sensors System for Determination of Ions Concentration in a Body Fluids
PublikacjaIn recent years, integration and miniaturization of ion-selective electrodes (ISEs) have brought many benefits resulting in the possibility of simultaneous determination of the ions concentration in a small sample volume. One of the key problems related to the preparation of integrated sensors systems (ISSs) is a calibration procedure due to the necessity to calibrate each particular sensor separately. The main aim of the research...
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Nanoparticles preparation using microemulsion systems
PublikacjaMetallic nanoparticles become of current interests because they exhibit unique properties compared with those of metal atoms or bulk metal due to the quantum size effect and their large surface area, which make them attractive for applications in optics, electronics, catalysis biology and medicine. TiO2 has been used for environmental remediation purposes such as in the purification of water and air and also solar-to chemical energy...
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The Effect of Fly Ash Microspheres on the Pore Structure of Concrete
PublikacjaThe fly ash microspheres (FAMs) formed during the mineral transformation stage in coal combustion are hollow spherical particles with a density less than water. This paper presents the results of X‐ray micro‐computed tomography and an automatic image analysis system of the porosity in the structure of hardened concrete with microspheres. Concrete mixtures with ordinary Portland cement and two substitution rates of cement by microspheres—5%...
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Determination of magnetisation conditions in a Double-Core Barkhausen Noise measurement set-up
PublikacjaThe magnetic Barkhausen effect is useful forassessing 1D and 2D stress states of ferromagnetic steelobjects. However, its extension to technically importantmaterials, such as duplex anisotropic steels, remains challenging. The determination of magnetisation inside the studied object and the electromagnet for various geometries, materials and magnetisation angles is a key issue.Three-dimensional, dynamic finite element analysis...
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Determination of pesticide residues in fruits and vegetables using QuEChERS sample preparation method
PublikacjaThe intensive development of agriculture means that more and more toxic organic and inorganic compounds are entering the environment. Because of their widespread use, environmental stability, selective toxicity and bioaccumulative capability, pesticides belong to the most hazardous substances contaminating the environment. They are particularly dangerous in fruits and vegetables, because they are one of the reasons why people are...
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An analytical hierarchy process for selection of the optimal procedure for resveratrol determination in wine samples
PublikacjaThe study shows the application of analytical hierarchy process (AHP) in ranking the analytical procedures, that are applied for resveratrol determination in wine samples. 19 different analytical methodologies are described by metrological, economic and environmental criteria, that are further divided into 10 subcriteria. Before AHP application, the amount of input data is decreased with cluster analysis. The first run of AHP is...
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Numerical analysis of mechanical properties of an infill structure used in 3D printings
PublikacjaThe paper presents results of a numerical analysis focused on an identification of mechanical properties of an element created by using Fused Deposition Modelling additive manufacturing technique (FDM). There is presented a description of technology of the 3D printing, numerical model created by using the finite element method (FEM), as well as some problems referred to estimation of the mechanical properties of the printout. The...
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Multiresidue Methods for Determination of Currently Used Pesticides in Fruits and Vegetables Using QuECHERS Technique
PublikacjaApplied all over the world, pesticides are some of the most common pollutants of the environment because of their stability, mobility, their consequent long-term adverse effects on living organisms in general and human health in particular. For these reasons it is essential to monitor and analyse pesticide residues in the fruits and vegetables. The analysis of food samples for the presence of pesticides causes a lot of difficulties...
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Structure and electrochemical behaviour of 4,7-diazaheptyl-trimethoxy-silane and vinyl-trialkoxy-silane adsorbed at silver surface
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Increasing ship structure crashworthiness
PublikacjaZmniejszanie ryzyka zanieczyszczenia środowiska w przypadku transportu morskiego materiałów niebezpiecznych stanowi ważny problem badawczy. Jednym z kluczowych zagadnień w tym obszarze stanowią aspekty związane ze zwiększaniem odporności konstrukcji na kolizję. W pracy omówiono najważniejsze metody zwiększania możliwości pochłaniania energii kolizji przez konstrukcje cienkościenne.
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Structure and Interactions in Chitosan Composites
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Structure and Magnetic Properties of Eu2CaCu2O6
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Structure and magnetic properties of Eu2CaCu2O6
PublikacjaDyskutowany jest nowy typ związku na bazie tlenku miedzi. Jest to pierwszy związek o tzw. zero wymiarowym charakterze Cu-O.
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Chemical Composition and Structure of Foods
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Probing the structure of quantum mechanics
PublikacjaWstęp do problemów dotyczących struktury mechaniki kwantowej, a w szczegółności związanych z jej nieliniowością, nielokalnością, a także problemami aks-jomatyzacji i wykorzystaniem zjawisk kwantowych do budowy komuterów.
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Numerical Evaluation of Dynamic Response of a Steel Structure Model under Various Seismic Excitations
PublikacjaThe present paper reports the results of the study, which was designed to perform a numerical evaluation of dynamic response of a single-storey steel structure model. The experimental model was previously subjected to a number of different earthquake ground motions during an extensive shaking table investigation. The analyzed structure model was considered as a 1-DOF system with lumped parameters, which were determined by conducting...
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The Use of Free Adjustment and Msplit-Estimation for Determination of the Vertical Displacements in Unstable Reference System
PublikacjaThe problem of the determining of the displacements of engineering objects and their surroundings is the current and important issue in the field of engineering geodesy. Most control measurements are made in relation to reference points (stable points). On the other hand, sometimes it happens that it is not possible perform the measurements with reference to the stable points or identification of stable points is difficult. Therefore,...
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IMPACT OF THE FINANCING STRUCTURE ON EFFICIENCY OF HEALTHCARE SYSTEMS IN THE FORMER EASTERN BLOC COUNTRIES
PublikacjaOut-of-pocket expenditures are a significant barrier in accessing health services. This paper aims to analyse the structure of financing system in the context of the performance indicators of healthcare systems. The study was conducted for the 28 countries of the former Eastern bloc in the years 2000 and 2013, based on data from the World Health Organization. In the DEA-CCR input-oriented model, inputs are the percentage share...
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A novel luminescent chemical sensor for the determination of Pb 2+ and Cu 2+ ions
PublikacjaSilica xerogel surface grafted with aminopropyl (PrNH2) groups was additionally treated by cetyltrimethylammonium bromide (CTAB) surfactant and ascorbic acid (asc) in alkaline solution. This material symbolized as SiO2-PrNH2-CTAB/asc, proved to be a stable luminescent material, exhibited an emission band peaked at 393 nm under excitation wavelength 335 nm. Time evolution of the band intensity suggests changes of defect concentration...
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Application of deep eutectic solvents for separation and determination of bioactive compounds in medicinal plants
PublikacjaThe medicinal plants industry, particularly in regard to products rich in biologically active substances for maintaining health, has grown by leaps and bounds in the last decade, with sales of over-the-counter drugs containing these substances growing by billions of dollars. Attention has thus also been paid to the safety and effectiveness of these medicines. We are currently witnessing a rapid increase in the number of publications...
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Determination of the tram track axis using a multi receiver GNSS measurement system
PublikacjaThis article refers to research, that has been conducted by an interdisciplinary research team from the Gdańsk University of Technology and the Maritime University in Gdynia since 2009. These investigation concerns the determination of a railway track axis using the mobile satellite measurement technique. Following the dynamic development of GNSS techniques, that could be seen in the last decade, the team carried out further experiments...
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Resonance Frequency Calculation of a Multilayer and Multipatch Spherical Microstrip Structure Using a Hybrid Technique
PublikacjaThis communication offers a rigorous analysis of the resonance frequency problem of a spherical microstrip structure mounted on a multilayer, dielectric-coated metallic sphere, with an electrically small radius. The structure consists of single or multiple metallic patches with arbitrary shapes. A full-wave analysis is employed with the use of proposed hybrid approach, combining the finite-difference technique with a spectral domain...
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Theoretical analysis of a new approach to order determination for a modified Prony method in swath mapping application
PublikacjaThis article presents a new approach to determine the model order (number of principal components) in the modified Prony method applied to swath acoustic mapping. Determination of the number of principal components is a crucial step in the modified Prony method. In the proposed approach the model order is chosen based on the underlying physical model of the underwater acoustic environment, and utilised signal processing operations....
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Amyloid fibril formation in the presence of water structure-affecting solutes
PublikacjaThe impact of the differently hydrated non-electrolytes (protein structure destabilizers) on the fibrillation of hen egg white lysozyme (HEWL) was investigated. Two isomeric urea derivatives i.e. butylurea (BU) and N,N,N′,N′-tetramethylurea (TMU) were chosen as a tested compounds. The obtained results show that butylurea exerts greater impact on HEWL and its fibrillation than tetramethylurea. Both substances decrease the time of...
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Application of a commercially available derivatization instrument and commonly used reagents to HPLC on-line determination of antioxidants
PublikacjaThis study demonstrates the potential of a commercially available derivatization instrument coupled with HPLC for separation and on-line determination of antioxidants detected with widely used screening reagents - DPPH (2,2-diphenyl-1-picrylhydrazyl), ABTS (2,2'-azino-bis(3-ethylbenzthiazoline-6-sulphonic acid) or FCR (Folin-Ciocalteu's phenol reagent ). As the result of optimization, key parameters of the analytical procedure,...
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Application of gas chromatography–tandem mass spectrometry for the determination of amphetamine-type stimulants in blood and urine
PublikacjaAmphetamine, methamphetamine, phentermine, 3,4-methylenedioxyamphetamine (MDA), 3,4-methylenedioxymethamphetamine (MDMA), and 3,4-methylenedioxy-N-ethylamphetamine (MDEA) are the most popular amphetamine-type stimulants. The use of these substances is a serious societal problem worldwide. In this study, a method based on gas chromatography-tandem mass spectrometry (GC-MS/MS) with simple and rapid liquid-liquid extraction (LLE)...
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A Measurement System for Quasi-Spectral Determination of Absorption and Scattering Parameters of Veterinary Tissue Phantoms
PublikacjaThis paper describes the construction of a system for the quasi-spectral determination of absorption and scattering parameters of animal tissue phantoms. Several tissue phantoms, including one reference and two modified for examination, were prepared from polydimethylsiloxane (PDMS). The phantoms were measured using a system based on an integrating sphere and the light sources of wavelengths commonly used for the treatment of various...
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Determination of Vehicles Load Equivalency Factors for Polish Catalogue of Typical Flexible and Semi-rigid Pavement Structures
PublikacjaThe new Polish Catalog of Typical Flexible and Semi-rigid Pavement Structures was introduced to use in practice in 2014. Much of works were focused on actualization of vehicles load equivalency factors. For this purpose data delivered from weigh-inmotion were analyzed. Four methods of determination of load equivalency factors for pavement structure design were compared. The analysis showed that fourth power equation, AASHTO 1993...
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Simulation Results of Dynamic Capacity Reallocation in Hierarchical Cell Structure of UMTS Network
PublikacjaIn the paper simulation results of dynamic capacity reallocation between different layers of hierarchical cell structure of UMTS network has been described. This approach for load management seems to be useful for improving the resource utilization perfmorance.
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Ionic liquids in the microextraction techniques: the influence of ILs structure and properties
PublikacjaIonic liquids (ILs) are composed entirely of ions thus they possess unique properties, including negligible volatility, a liquid state in a broad range of temperatures and ability to change them depending on the chosen type of anion and cation, which make ILs unique and useful for many applications in sample preparation techniques. A deeper understanding of the nature of ILs and the impact of their structure on their parameters...
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Modeling the Structure, Dynamics, and Transformations of Proteins with the UNRES Force Field
PublikacjaThe physics-based united-residue (UNRES) model of proteins ( www.unres.pl ) has been designed to carry out large-scale simulations of protein folding. The force field has been derived and parameterized based on the principles of statistical-mechanics, which makes it independent of structural databases and applicable to treat nonstandard situations such as, proteins that contain D-amino-acid residues. Powered by Langevin dynamics...
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Novel structure and size-reduction-oriented design of microstrip compact rat-race coupler
PublikacjaIn this paper, a novel structure of a miniaturized microstrip rat-race coupler has been proposed. Surrogate-based optimization procedures are applied to explicitly reduce the coupler size while maintaining equal power split at the operating frequency of 1 GHz and sufficient bandwidth for return loss and isolation characteristics. The optimization is performed using the objective function with four penalty components. The footprint...
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Microemulsion Delivery Systems with Low Surfactant Concentrations: Optimization of Structure and Properties by Glycol Cosurfactants
PublikacjaExtensive use of microemulsions as delivery systems raises interest in the safe ingredients that can form such systems. Here, we assessed the use of two glycols, i.e., propylene glycol and pentylene glycol, and their mixtures to manipulate the properties and structure of microemulsions. Obtained systems with glycols were extensively characterized in terms of capacity to incorporate water phase, droplet size, polydispersity, structure...
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Implementing Virtual Engineering Objects (VEO) with the Set of Experience Knowledge Structure (SOEKS)
PublikacjaThis paper illustrates the idea of Virtual Engineering Object (VEO) powered by Set of Experience Knowledge Structure (SOEKS) and Decisional DNA (DDNA). A VEO is the knowledge representation of an engineering object, having embodiment of all its associated knowledge and experience within it. Moreover, VEO is a specialization of Cyber-Physical System (CPS) in terms of that its extension in knowledge gathering and reuse, whereas CPS...
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Novel structure and EM-driven design of miniaturized microstrip rat-race coupler
PublikacjaIn this paper, a novel structure and design procedure of a miniaturized microstrip rat-race coupler (RRC) is described. Small size of the RRC is achieved by folding the transmission lines of the conventional circuit into its interior, as well as by implementation of the structure on three layers. The final size of the coupler realized for the operating frequency of 1 GHz is only 220 mm2, which gives over 95% footprint reduction...
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Determination of Selected Organic Acids in Animal Farm Water Samples by Ion Chromatography
PublikacjaLow molecular mass carboxylic acids (LCAs) occur in many environmental compartments due to natural processes and human activity. They are an important group of organic pollutants of waste water that mainly includes, volatile fatty acids, and also dicarboxylic, aromatic, hydroxy- and ketoacids. LCAs are present in the environment at concentrations between 1 to 5000 ppm and different methods have been reported for their determination...
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Determination of pharmaceuticals in fish: method optimization and occurrence in different species from Mediterranean rivers
PublikacjaThe multi-residue analytical method developed, based on accelerated solvent extraction, gel permeation chromatography purification and UPLC-MS/MS analysis allowed the simultaneous determination of 21 pharmaceuticals. Recoveries obtained for most of the target compounds were higher than 50%. The application of UPLC-MS/MS operating in the MRM mode, with two transitions monitored for each compound, provided good sensitivity and selectivity....
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Diethyl carbonate as a green extraction solvent for chlorophenol determination with dispersive liquid–liquid microextraction
PublikacjaThe principles of green analytical chemistry indicate that the search for greener organic solvents for extraction applications is crucial. In this study diethyl carbonate (DEC) is proved to be a green solvent, as it is relatively nontoxic, obtainable from renewable resources and biodegradable. Here it is applied as an extraction solvent for chlorophenol determination in water samples with dispersive liquid–liquid microextraction....
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Application of the X-ray micro computed tomography to the analysis of the structure of polymeric materials
PublikacjaIn this paper the application of X-ray micro-computed tomography (micro-CT) as a non-destructive testing method of polymeric materials is presented. Increasing applicability of polymers in variedend-use industries such as automotive, building and construction, consumer goods, and packaging is propelling the growth of the global polymer processing market. However, controlling of the polymer structure is one of the most important...