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Search results for: D-LIMONENE
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DFT study of low-energy electron interaction with pyridine, pyrazine and their halo derivatives
PublicationIn this work, the density functional theory with B3LYP hybrid functional was employed to calculate quantities useful for estimating the behavior of pyridine, pyrazine and their derivatives monosubstituted with Cl or Br atom, when exposed to low-energy electron impact. Vertical electron affinities obtained in several Pople basis sets and in aug-cc-pVTZ basis set are reported. Although some of the investigated molecules do not form...
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Roadmap on dynamics of molecules and clusters in the gas phase
PublicationThis roadmap article highlights recent advances, challenges and future prospects in studies of the dynamics of molecules and clusters in the gas phase. It comprises nineteen contributions by scientists with leading expertise in complementary experimental and theoretical techniques to probe the dynamics on timescales spanning twenty orders of magnitudes, from attoseconds to minutes and beyond, and for systems ranging in complexity...
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Radio- and photosensitization of DNA with compounds containing platinum and bromine atoms
Publication. Irradiations of plasmid DNA by both X-rays and UV light in the presence and absence of compounds containing platinum and bromine atoms were performed in order to asses the sensitization potential of these compounds. Plasmid DNA pBR322 was incubated with platinum (II) bromide, hydrogen hexabromoplatinate (IV), hydrogen hexahydroxyplatinate (IV) and sodium hexahydroxyplatinate (IV). Incubation was followed by X-ray or UV irradiations....
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Preparation of DNA films for studies under vacuum conditions
PublicationExperiments were carried out to determine the optimum conditions required for the preparation of uniform films of supercoiled plasmid DNA to be used in irradiation experiments under high vacuum conditions. Investigations reveal that significant damage to the DNA molecules occurs due to the evacuation process when films were formed from DNA samples in ultra high purity water only. A variety of bases were tested for their possible...
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The influence of the substrate temperature on the preparation of DNA films for studies under vacuum conditions
PublicationExperiments were carried out to determine the dependence of the physical form of supercoiled DNA films on the initial temperature of the substrate. Such films are often used in irradiation experiments involving low energy particles, like electrons or photons. In order to obtain absolute values for cross sections for such experiments, the spatial distribution of the sample in the film has to be well estimated. These investigations...
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Vibrational excitation of acetylene by positron impact
PublicationVibrationally inelastic quantum calculations are carried out at low collision energies for the scattering of a beam of positrons off acetylene gaseous molecules. The normal mode analysis is assumed to be valid and the relative fluxes into the C–C and C–H symmetric vibrational modes are computed within a Body-Fixed (BF) formulation of the dynamics by solving the relevant vibrational Coupled Channels (VCC) equations. The clear dominance...
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Cross sections for ionization and ionic fragmentation of pyrimidine molecules by electron collisions
PublicationThe electron impact mass spectroscopy and the total ion collection measurements were used to investigate the ionization and ionic fragmentation of the pyrimidine, C4H4N2, molecules in the gasphase. The cation mass spectra were measured in the 10−85 amu range and the observed mass peaks assigned to corresponding ionic fragments. The most abundant cation in the mass spectra is the parent cation, C4H4N+2, at 80 amu. The appearance...
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Low-energy positron scattering from gas-phase benzene
PublicationIn this paper we are presenting calculations of the elastic cross section of positrons with gas-phase benzene for the energy range from 0.25 eV to 9.0 eV. The calculations are done with the molecular R-matrix method for positron-scattering from poly-atomic molecules using a scaling factor to scale the electron-positron interaction. The scaling factor influences the position of the poles of the R-matrix. We adjust the scaling factor...
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Electron energy-loss spectroscopy of excited states of the pyridine molecules
PublicationElectron energy-loss spectra of the pyridine, C5H5N, molecules in the gas phase have been measured to investigate electronic excitation in the energy range 3.5–10 eV. The applied wide range of residual electron energy and the scattering angle range from 10 ◦ to 180 ◦ enabled to differentiate between optically-allowed and -forbidden transitions. These measurements have allowed vertical excitation energies of the triplet excited...
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Photoelectron-photoabsorption (PePa) database
PublicationIn this paper a recently launched Photoelectron-Photoabsorption Database is presented. The database was developed in order to gather all the photoelectron and photoabsorption spectra measured by various collaborators over the years as well as to ease the access to the data to the potential users. In the paper the main features of the database were described and its outline explained.
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Photoelectron and threshold photoelectron valence spectra of pyridine
Publication. The pyridine molecule has been examined by the means of photoelectron and threshold photoelectron spectroscopies. Ionization energies were determined for both outer and inner valence orbitals and new adiabatic values were also resolved. Vibronic structure associated with several states was assigned mainly to be due to C–C stretches and ring bends. Additionally a Rydberg state converging to 7b2 state was ascribed. The data shown...
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Do positrons measure atomic and molecular diameters?
PublicationWe report on density functional calculations (DFT) of elastic integral scattering cross-sections for positron collisions with argon, krypton, nitrogen and methane. The long-range asymptotic polarization potential is described using higher-order terms going much beyond an induced dipole potential (−α / r 4) while the short-range interaction is modeled by two different forms of electron – positron correlation potential (Boroński-Nieminen...
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Electron interactions with Bis(pentamethylcyclopentadienyl) titanium(IV) dichloride and difluoride
PublicationWe present a combined experimental and theoretical study of the interaction of electrons with Bis(pentamethylcyclopentadienyl)titanium(IV) dichloride (Cp∗2TiCl2) and difluoride (Cp∗2TiF2). We report the experimental measurements of partial cross sections for the dissociative electron attachment (DEA) and the electron ionization (EI) mass spectra of isolated molecules. Estimates of the absolute cross sections are done on the basis...
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Recent total cross section measurements in electron scattering from molecules
PublicationThe grand-total cross sections (TCSs) for electron scattering from a range of molecules, measured over the period 2009-2019 in various laboratories, with the use of different electron transmission systems, are reviewed. Where necessary, the presented TCS data are also compared to earlier results. Collection of investigated molecular targets (biomolecules, biofuels, molecules of technological application,hydrocarbons) reflects their...
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On the electronic structure of methyl butyrate and methyl valerate
PublicationWe present novel results of the analysis of the electronic structure of two aliphatic esters: methyl butyrate and methyl valerate. High-resolution photoabsorption spectra were collected and analyzed over the energy range 4.0–10.8 eV and showed for both the molecules not only a clear band of the HOMO to LUMO transition, but also vibronic structure associated with the first Rydberg-valence transition. Photoelectron spectra recorded...
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Electron impact ionization and cationic fragmentation of the pyridazine molecules
PublicationElectron impact mass spectroscopy was used to investigate ionization and cationic fragmentation of the pyridazine (1,2 diazine), C4H4N2, molecules in the gas phase. The mass spectra were measured and the observed mass peaks assigned to the corresponding cations. The appearance energies of most of the cationic fragments were determined and the possible fragmentation processes are discussed. The total cross section for electron...
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Electron-impact ionization cross section of formic acid
PublicationExperimental electron-impact ionization cross sections of one of the simplest carboxylic acids, formic acid, are presented. The molecular target was studied in two independent experimental setups applying different methods: the total ion collection and the electron–impact mass spectrometry methods. Experimental data were taken at incident electron energies ranging from ionization threshold [11.31 eV; J.C. Traeger, Int. J. Mass...
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Decomposition of halogenated nucleobases by surface plasmon resonance excitation of gold nanoparticles
PublicationHalogenated uracil derivatives are of great interest in modern cancer therapy, either as chemotherapeutics or radiosensitisers depending on their halogen atom. This work applies UV-Vis spectroscopy to study the radiation damage of uracil, 5-bromouracil and 5- uorouracil dissolved in water in the presence of gold nanoparticles upon irradiation with an Nd:YAG ns-pulsed laser operating at 532nm at dierent uences. Gold nanoparticles...
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The methods of design reliable distributed networks
PublicationOpisano dwie metody projektowania niezawodnych sieci rozległych. W pierwszej metodzie przyjęto, że koszt konstrukcji każdego połączenia jest jednakowy, w drugiej koszty opisuje zadana macierz kosztów. Jako parametr niezawodnościowy przyjęto liczbę niezależnych dróg pomiędzy węzłami sieci. Pierwsza z metod jest metodą dokładną, druga heurystyczną. Zdefiniowano i oceniono błąd metody heurystycznej. Opublikowano wyniki otrzymane...
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Topological Behaviour of Solutions of Vibro-Impact Systems in the Neighborhood of Grazing
PublicationThe grazing bifurcation is considered for the Newtonian model of vibro-impact systems. A brief review on the conditions, sufficient for the existence of a grazing family of periodic solutions, is given. The properties of these periodic solutions are discussed. A plenty of results on the topological structure of attractors of vibro-impact systems is known. However, since the considered system is strongly nonlinear, these attractors...
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Cross section calculations for electron impact ionization and elastic scattering from cisplatin
PublicationCałkowity przekrój czynny na jednokrotną jonizację cisplatyny (H6N2Cl2Pt) w zderzeniach z elektronami został obliczony przy wykorzystaniu modelu BEB (binary-encounter-Bethe) dla energii zderzenia od progu na jonizację do 5 keV. W celu uzyskania danych niezbędnych w modelu BEB, geometryczna i elektronowa struktura cisplatyny została przebadana metodami chemii kwantowej. Obliczono również przekrój czynny na sprężyste rozproszenie...
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Cross sections for electron collision with five-membered ring heterocycles
PublicationCałkowity absolutny przekrój czynny (TCS) na rozpraszanie elektronów na cząsteczce izoksazolu (CH)3NO, został zmierzony przy wykorzystaniu liniowej techniki transmisyjnej dla energii zderzenia od 1 do 400 eV. Zależność energetyczna funkcji TCS jest typowa dla cząsteczek silnie polarnych; w całym zakresie badanych energii wartość TCS maleje wraz ze wzrostem energii zderzenia. Zaobserwowano wąskie struktury rezonansowe w okolicy...
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Activated Sludge Process Development
PublicationThis paper summarizes the most significant steps in the activated sludge process development and recognizes key contributors. Recognition of the roles of oxygen and living organisms was the first step (1882-1914). Ardern and Lockett (1914) named the accumulated olids "activated sludge". The process was rapidly accepted and applied in the period 1914-1930. The most dramatic changes in the activated sludge process understanding and...
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The consideration to the dynamic systems parameter identification
PublicationIn this paper, a concept for continuous-time dynamic systems parameter identification using modulating function approach is presented. It refers to linear as well as selected non-linear systems. It shows the possibility of direct application without converting differential equation. In particular cases direct application can decrease the amount of computation in non-linear system identification, which generally requires Fourier...
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Ezrin--a useful factor in the prognosis of nephrotic syndrome in children: an immunohistochemical approach
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Air-sparged hydrocyclone (ASH) technology for separation and environmental clean-up
PublicationPrzedstawiono zastosowanie technologii wykorzystującej napowietrzany reaktor cyklonowy w oczyszczaniu środowiska. W pierwszych opracowaniach reaktora cyklonowego wykorzystano wkłady ze stali porowatej i polietylenu jako kontaktory fazy gazowej z ciekłą. Jako wynik badań nad rozwojem technologii wkłady porowate zostały zastąpione metalowymi siatkami, co wyeliminowało problem zatykania się elementów. Przeprowadzone badania laboratoryjne...
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Mixed electromagnetic - circuits modeling and parallelization for rigorouscharacterization of cosite interference in wireless communication channels. W: UGC 2002 Homepage [online]. Department of Defense High Performance Com- puting Modernization Program. Users Group Conference 2002. Austin, Texas, USA. June 10-14, 2002. [Dostęp: 15 grudnia**2002]. Dostępny w World Wide Web: http://www.hpcmo.hpc.mil/Htdocs/UGC/UGC02/paper/[45 slajdów]. Modelowanie układów elektromagnetycznych i zrównoleglanie w celu określenia wzajemnych oddziaływań w bezprzewodowych kanałach komunikacyjnych.
PublicationRównoległe działanie sąsiadujące modułów nadawczo-odbiorczych typowo prowa-dzi do efektów ubocznych z powodu wzajemnych oddziaływań, które obniżają pa-rametry sieci. W celu scharakteryzowania takich efektów, zaprezentowano roz-wiązanie równań Maxwella w dziedzinie czasu z modelowaniem efektów nielinio-wych.
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Metodologia badania zaworów hamulcowych
PublicationArtykuł opisuje metodologię statycznego i dynamicznego badania zaworów hamulcowych. Stanowisko badawcze zaprojektowano i zbudowano na Politechnice Gdańskiej jako część projektu badawczo-rozwojowego pt.: „Zaprojektowanie i zbadanie innowacyjnych podsystemów ładowarek kołowych firmy Hydro-Metal”, dofinansowanego przez PARP w ramach programu „Bon na innowacje”. Ponadto przedstawiono szczegóły konstrukcyjne i funkcje najczęściej spotykanych zaworów...
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Witaminy. Rozdział 1
PublicationPrzedstawiono budowę chemiczną i omówiono własności witamin rozpuszczalnych w tłuszczach (wit. A, D, E, K) oraz w wodzie (wit. B1, B2, PP, B5, B6, B12, H, C, P, kwas foliowy).
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Adaptive Feedback Control of Fractional Order Discrete State-Space Systems
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Application of the MSPD Technique for the HPLC Analysis of Rutin in Sambucus nigra L.: The Linear Correlation of the Matrix Solid-Phase Dispersion Process
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COMPARISON OF INFINITE ELEMENT MODELS
PublicationThe main objective of this paper is to show the comparison of two models of infinite ab- sorbing layer with increasing damping in numerical investigations of elastic wave prop- agation in unbounded structures. This has been achieved by the Authors by a careful in- vestigation of two different engineering structures characterised by gradually increasing geometrical and mathematical description complexities. The analysis included...
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Application of Diagnostic Ratios of PAHs to Characterize the Pollution Emission Sources
PublicationThe paper summarizes the potential of application of parent polycyclic aromatic hydrocarbons (PAHs) to identify their emission sources. Four parent PAHs diagnostic ratios are used for this purpose: anthracene/(anthracene + phenanthrene), fluoranthene/(fluoranthene + pyrene), benzo[a]pyrene/(benzo[a]pyrene + chryzene) and indeno[1,2,3-c,d]pyrene/(indeno[1,2,3-c,d]pyrene + benzo[g,h,i]perylene). The compounds of each ratio have the...
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Defence in depth conception in nuclear power plants and requirements for instrumentation and control systems
PublicationThe aim of this article is to identify and discuss some issues of the safety systems’ design for nuclear power plants equipped with the light water reactors using a defence in depth (D-in-D) conception. Because the functional safety solutions play nowadays an important role for the risk control, the basic requirements for the instrumentation and control systems are specified with regard to relevant international standards. For...
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Photoconduction and magnetic field effect on photoconduction in hole-transporting star-burst amine (m-MTDATA) films
PublicationPhotoconduction and magnetic field effect on photoconduction have been investigated as a function of electric field strength, excitation light intensity and wavelength in vacuum evaporated films of m-MTDATA (4,4′,4″-tris(N-(3-methylphenyl)-N-phenylylamino) triphenylamine), the starburst amine commonly used as hole-transporting material in organic light-emitting diodes. The photocurrent is found to be generated by the singlet exciton...
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Cloning, expression, purification and characterization of recombinant trehalose synthase from Deinococcus radiodurans.
PublicationTrehalose (α-D-glucopyranosyl-1,1-α-D-glucopyranoside) is a nonreducing disacharide in which the two glucose molecules are linked trough a α-1,1-glycosidic bond. Trehalose is readily hydrolyzed to glucose and can be used as a reserve of that sugar in the cell. The presence of trehalose was found in the cells of fungi and yeasts, bacteria, nematodes, insects, eggs, pupae and some plants. The characteristics of trehalose make it...
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5-Bromo-2′-deoxycytidine—a potential DNA photosensitizer
PublicationA double-stranded oligonucleotide, 80 base pairs in length, was multiply labeled with 5-bromo-2′-deoxycytidine (BrdC) using polymerase chain reaction (PCR). The modified oligonucleotide was irradiated with 300 nm photons and its damage was assayed by employing DHPLC, LC-MS and denaturing polyacrylamide gel electrophoresis (PAGE). Two types of damage were demonstrated, namely, single strand breaks (SSBs) and intrastrand cross-links...
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Review on Current Status of Echinocandins Use
PublicationFungal infections are rising all over the world every year. There are only five medical compound classes for treatment: triazoles, echinocandins, polyenes, flucytosine and allylamine. Currently, echinocandins are the most important compounds, because of their wide activity spectrum and much lower sides effects that may occur during therapy with other drugs. Echinocandins are secondary metabolites of fungi, which can inhibit the...
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A subdomain model for armature reaction field and open‐circuit field prediction in consequent pole permanent magnet machines
PublicationIn this paper, the machine quantity, such as electromagnetic torque, self and mutual inductances, and electromotive force, is analytically calculated for non-overlapping winding consequent pole slotted machine for open-circuit field and armature reaction. The sub-domain approach of (2-D) analytical model is developed using Maxwell's equations and divide the problem into slots, slot-openings, airgap and magnets region, the magnet...
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Topology recognition and leader election in colored networks
PublicationTopology recognition and leader election are fundamental tasks in distributed computing in networks. The first of them requires each node to find a labeled isomorphic copy of the network, while the result of the second one consists in a single node adopting the label 1 (leader), with all other nodes adopting the label 0 and learning a path to the leader. We consider both these problems in networks whose nodes are equipped with...
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Buffer contribution to formation enthalpy of copper(II)–bicine complex determined by isothermal titration calorimetry method
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Some Aspects of Measuring Nonlinear Optical Features of Advanced Vertically Aligned Mesoporous Silica Thin Films Activated by Silver and Copper Ions
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Szymon Zdybel
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Detection of cellulose production capacity of recombinant Escherichia coli strains BL21(DE3) and AAEC191A
Open Research DataBacteria that form biofilms generate an extracellular matrix (ECM), where cellulose stands out as a key constituent. An approach for assessing microorganisms' cellulose production involves using calcofluor white staining on colonies. In this method, a fluorescent dye (calcofluor-white) is introduced to a stable YESCA substrate composed of casamino acids,...
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Detection of cellulose production capacity of recombinant Escherichia coli strains BL21(DE3) and AAEC191A
Open Research DataBacteria that form biofilms generate an extracellular matrix (ECM), where cellulose stands out as a key constituent. An approach for assessing microorganisms' cellulose production involves using calcofluor white staining on colonies. In this method, a fluorescent dye (calcofluor-white) is introduced to a stable YESCA substrate composed of casamino acids,...
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Detection of cellulose production capacity of recombinant Escherichia coli strains BL21(DE3) and AAEC191A
Open Research DataBacteria that form biofilms generate an extracellular matrix (ECM), where cellulose stands out as a key constituent. An approach for assessing microorganisms' cellulose production involves using calcofluor white staining on colonies. In this method, a fluorescent dye (calcofluor-white) is introduced to a stable YESCA substrate composed of casamino acids,...
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Detection of cellulose production capacity of recombinant Escherichia coli strains BL21(DE3) and AAEC191A
Open Research DataBacteria that form biofilms generate an extracellular matrix (ECM), where cellulose stands out as a key constituent. An approach for assessing microorganisms' cellulose production involves using calcofluor white staining on colonies. In this method, a fluorescent dye (calcofluor-white) is introduced to a stable YESCA substrate composed of casamino acids,...
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The values of Permutation Entropy for individuals with Normal Sinus Rhythm
Open Research DataThe dataset consists of calculated values of entropy of 75 000 intervals between consecutive heartbeats (RR intervals) for 54 patients with normal sinus rhythm (NSR). The original data were taken from PhysioNet Normal Sinus Rhythm RR Interval Database (cf. Goldberger A., Amaral L., Glass L., Hausdorff J., Ivanov P.C., Mark R., Mietus J.E., Moody G.B.,...
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The values of Permutation Entropy for patients with Congestive Heart Failure
Open Research DataThe dataset consists of calculated values of entropy of 75 000 intervals between consecutive heartbeats (RR intervals) for 29 patients with congestive heart failure (CHF). The original data were taken from PhysioNet Congestive Heart Failure RR Interval Database (cf. Goldberger A., Amaral L., Glass L., Hausdorff J., Ivanov P.C., Mark R., Mietus J.E.,...
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Wpływ polietylenu szczepionego bezwodnikiem maleinowym oraz sił ścinających na właściwości mieszanin polietylen wysokiej gęstości-miał gumowy
PublicationScharakteryzowano wpływ kompatybilizatora w postaci polietylenu szczepionego bezwodnikiem maleinowym na właściwości mieszanin PE-HD–miał gumowy. Kompozycje termoplastyczne zawierające 50 cz. mas. rozdrobnionych odpadów gumowych, otrzymano przy użyciu współbieżnej wytłaczarki dwuślimakowej. Poziom sił ścinających generowanych podczas mieszania, regulowano za pomocą zmian prędkości obrotowych ślimaków. Przeprowadzono charakterystykę...