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Search results for: THERMODYNAMIC PARAMETERS
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Analytical method of determining dynamic properties of thermocouples used in measurements of quick – changing temperatures of exhaust gases in marine diesel engines
PublicationThe article presents selected issues of mathematical modeling of heat exchange between the thermocouple and the exhaust gas flowing them, in unsteady conditions. On the way of energy balancing consideration of thermodynamic processes developed differential equations describing the dynamic properties for three versions of the design sheathed thermocouples: with weld isolated from the sheath, with weld welded the sheath and with...
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Hysteresis curves and loops for harmonic and impulse perturbations in some non-equilibrium gases
PublicationEvolution of sound in a relaxing gas whose properties vary in the course of wave propagation, is studied. A relaxing medium may reveal normal acoustic properties or be acoustically active. In the first case, losses in acoustic energy lead to an increase in internal energy of a gas similarly as it happens in Newtonian fluids. In the second case, acoustic energy increases in the course of sound propagation, and the internal energy...
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Method of identification of the slide tribological system top layer condition by assessment of the t-02 four-ball tester friction node operation
Publicationa method is proposed of the assessment of t-02 four-ball tester friction node operation during extreme unit loads on the tribological system for identification of the top layer condition in that system lubricated with the tested lubricating oil. by identification of the friction node with a thermodynamic system, that operation is treated as an energy generating process of the created servo-layer structure. the friction node operation...
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THE COMPOSITION MODULATION EFFECT IN GaInPAs SOLID SOLUTIONS AS A MANIFESTATION OF ENERGY RESONANCE AFTER MATERIAL'S SPINODAL DECOMPOSITION
PublicationThe Cahn-Hilliard model concepts are extended to describe the spinodal decomposition of Ga$_x$In$_{1-x}$P$_y$As$_{1-y}$ solid solutions grown on the InP substrate. The energy of elastic deformation of the thin layer of a solid solution was calculated on the assumption of its coherent conjugation with the massive InP substrate. The excess energy of component mixing in the solid phase was modeled in accordance with the simple solution...
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WSPÓŁPRACA BLOKU GAZOWO-PAROWEGO Z OBIEGIEM ORC = Combinded power plant in cooperation with ORC
PublicationIn the paper presented is the idea of a combined gas and steam power plant cooperation with a low temperature organic Rankine cycle ORC unit. Considerations presented in the paper are accomplished for the Gorzów CHP. The intention of present analysis is heat recovery of low temperature energy and its further use in ORC cycle in order to produce electricity, without increase in fuel consumption. Waste energy is recovered from the...
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Exploring the cocrystallization potential of urea and benzamide
PublicationThe cocrystallization landscape of benzamide and urea interacting with aliphatic and aromatic carboxylic acids was studied both experimentally and theoretically. Ten new cocrystals of benzamide were synthesized using an oriented samples approach via a fast dropped evaporation technique. Information about types of known bi-component cocrystals augmented with knowledge of simple binary eutectic mixtures was used for the analysis...
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Experimental study of pressure rise at the evaporator of capillary pumped loop with acetone and water as working fluids
PublicationIn this work studied is the possibility of fluid pumping using capillary forces in the capillary pumped loop. Experimental and theoretical studies have been performed to understand the phenomena associated with heat transfer in porous structure of the evaporator. The capillary effect was studied during operation of two different capillary porous structures with two different working fluids, namely water and acetone. The results...
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Interaction of Acoustic and Thermal Modes in the Vibrationally Relaxing Gases. Acoustic Cooling
PublicationThe dynamic equation which governs an excess temperature associated with the thermal mode in vibrationally relaxing gas is derived. The nonlinear transfer of acoustic energy to the energy of the thermal mode in a relaxing gas causes slow variation of temperature with time. The nal dynamic equation is instantaneous. All types of sound, including aperiodic, may be considered as an acoustic source of corresponding heating or cooling....
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Thermodynamic analysis of the double Brayton cycle with the use of oxy combustion and capture of CO2
PublicationIn this paper, thermodynamic analysis of a proposed innovative double Brayton cycle with the use of oxy combustion and capture of CO2, is presented. For that purpose, the computation flow mechanics (CFM) approach has been developed. The double Brayton cycle (DBC) consists of primary Brayton and secondary inverse Brayton cycle. Inversion means that the role of the compressor and the gas turbine is changed and firstly we have expansion...
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Heat capacities and thermodynamic properties of antimony substituted lanthanum orthoniobates
PublicationThe results of heat capacity measurements for the lanthanum orthoniobate substituted with 10, 20 and 30 mol% of antimony (LaNb0.9Sb0.1O4, LaNb0.8Sb0.2O4 and LaNb0.7Sb0.3O4) are presented and discussed. Temperature dependence of low temperature heat capacity was analyzed within the Debye and Einstein models. The Debye temperature decreased, whereas the Einstein temperature increased with antimony content. The decrease of the Debye...
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Instantaneous Heating and Cooling Caused by Periodic or Aperiodic Sound of Any Characteristic Duration in a Gas with Vibrational Relaxation
PublicationThermodynamic relaxation of internal degrees of a molecule's freedom in a gas occurs with some characteristic time. This makes wave processes in a gas behave differently depending on the ratio of characteristic duration of perturbations and the relaxation time. In particular, generation of the secondary non-wave modes by intense sound in a nonlinear flow dependens on frequency. These kinds of interaction are considered in this...
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Application of microturbines in CHP systems with reciprocating engines
PublicationThe analysis was carried out for Combined Heat and Power generation systems with micro-turbines power plants working on heat rejected from the reciprocating engine. The calculations were performed for GE Jerbacher engines of J320 GS- C05, J320 GS- C25 and J416 GS- B05 types. We considered different working media (both wet and dry fluids): water, ammonia, ethanol, methanol, methylacetylene (propyne), dimethyloether, sulphur dioxide,...
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Power augmentation of PGE Gorzow's gas turbine by steam injection - thermodynamic overview
PublicationThe impact of steam injection upon a gas turbine and a combined power plant performance has been investigated. This article describes and summarizes possibilities of modification for current gas turbine in PGE Gorzow power plant into the Cheng cycle. Our modification deals with a thermal cycle, in which steam produced in a heat recovery steam generator is injected into the gas turbine's combustion chamber. It has been proved that...
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Stripe order and magnetic anisotropy in the S=1 antiferromagnet BaMoP2O8
PublicationMagnetic behavior of yavapaiite-type BaMoP2O8 with the spatially anisotropic triangular arrangement of the S=1Mo4+ ions is explored using thermodynamic measurements, neutron diffraction, and density-functional band-structure calculations. A broad maximum in the magnetic susceptibility around 46 K is followed by the stripe antiferromagnetic order with the propagation vector k=(12,12,12) formed below TN≃21 K. This stripe phase is...
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Low energy electron attachment to platinum(II) bromide (PtBr2)
PublicationtDissociative electron attachment to PtBr2in the gas phase was studied in the low electron energy rangefrom zero up to 10 eV with an energy resolution of 150 meV. The experiments were carried out using ahemispherical electron monochromator coupled with a quadrupole mass spectrometer and pulse count-ing acquisition system. The only anion observed was Br−. This ion is formed at three resonance electronenergies: 0.4 eV, 1.2 eV and...
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Excitation of Non-Wave Modes by Sound of Arbitrary Frequency in a Chemically Reacting Gas
PublicationThe 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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Long-term hindcast simulation of sea ice in the Baltic Sea
Open Research DataThe data set contains the results of numerical modeling of sea ice over a period of 50 years (1958-2007) in the Baltic Sea. A long-term hindcast simulation was performed using a three-dimensional hydrodynamic model PM3D (Kowalewski and Kowalewska-Kalkowska, 2017), a new version of the M3D model (Kowalewski, 1997). A numerical dynamic-thermodynamic model...
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Change of reaction quotients for SOFC fueled by biogas mixture at 750 C
Open Research DataThe dataset contains the Change of reaction quotients for SOFC fueled by biogas mixture at 750 C (60:40 CH4:CO2). The outlet concentration of the gases from SOFC were measured using novel FTIR-based unit.
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Hydrodynamic reanalysis of ice conditions in the Baltic Sea using the PM3D model
Open Research DataThe dataset contains the results of numerical modeling of sea ice in the Baltic Sea since 1998. A long-term reanalysis was performed using the three-dimensional hydrodynamic model PM3D (Kowalewski and Kowalewska-Kalkowska, 2017), a new version of the M3D model (Kowalewski, 1997). A numerical dynamic-thermodynamic model of sea ice (Herman et al. 2011)...
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Hydrogen-enhanced degradation and oxide effects in zirconium alloys for nuclear applications
PublicationThe zirconium alloys used in nuclear industry include mainly ZreSn and ZreNb alloys ofdifferent chemical composition, microstructure and susceptibility to both hydrogendegradation and oxidation. The hypothetic nuclear accidents can create a real danger tothe Zr alloys and stability of parts made of these alloys, and especially such as loss ofcoolant accident (LOCA) and reactivity initiated accidents (RIA). The hydrogen degradationcan...
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Thermodynamic Cycle Concepts for High-Efficiency Power Plans. Part A: Public Power Plants 60+
PublicationAn analysis was carried out for different thermodynamic cycles of power plants with air turbines. Variants with regeneration and different cogeneration systems were considered. In the paper, we propose a new modification of a gas turbine cycle with the combustion chamber at the turbine outlet. A special air by-pass system of the combustor was applied and, in this way, the efficiency of the turbine cycle was increased by a few points....
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Thermodynamic Studies of Interactions between Sertraline Hydrochloride and Randomly Methylated β-Cyclodextrin Molecules Supported by Circular Dichroism Spectroscopy and Molecular Docking Results
PublicationThe interaction between sertraline hydrochloride (SRT) and randomly methylated β-cyclodextrin (RM β CD) molecules have been investigated at 298.15 K under atmospheric pressure. The method used—Isothermal Titration Calorimetry (ITC) enabled to determine values of the thermodynamic functions like the enthalpy (DH), the entropy (DS) and the Gibbs free energy (DG) of binding for the examined system. Moreover, the stoichiometry coefficient...
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Dynamics of Chains as a Tool to Study Thermomechanical Properties of Proteins.
PublicationPolymer dynamics can be formulated on different levels of detail. One approach eliminates microscopic degrees of freedom and a polymer molecule is represented by a simplified structure—a chain. In the simplest case monomers of ideal chain have fixed length, and their orientation is independent of the orientations and positions of neighbouring monomers. This is reason that two monomers can co-exist at the same place. Ideal chain...
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Removal efficiency of phenol by ozonation process with calcium peroxide from aqueous solutions
PublicationPhenol has been introduced as a priority pollutant by the US Environmental Protection Agency. Advanced oxidation processes (AOPs) are one of the most efcient methods for removal of non-degradable organic pollutants in aqueous solutions. The removal efciencies of phenol and COD under optimal conditions pH=3, phenol concentration=5 mg/L, CaO2 concentration=0.025 mg/L, temperature 25 °C, 1 g/min ozonation rate and contact time=90...
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Neoclassical Navier–Stokes Equations Considering the Gyftopoulos–Beretta Exposition of Thermodynamics
PublicationThe seminal Navier-Stokes equations were stated even before the creation of the foundations of thermodynamics and its first and second laws. There is a widespread opinion in the literature on thermodynamic cycles that the Navier-Stokes equations cannot be taken as a thermodynamically correct model of a local "working fluid", which would be able to describe the conversion of "heating" into "working" (Carnot's type cycles) and vice...
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Dissociative electron attachment to the radiosensitizing chemotherapeutic agent hydroxyurea
PublicationDissociative electron attachment to hydroxyurea was studied in the gas phase for electron energies ranging from zero to 9 eV in order to probe its radiosensitizing capabilities. The experiments were carried out using a hemispherical electron monochromator coupled with a quadrupole mass spectrometer. Diversified fragmentation of hydroxyurea was observed upon low energy electron attachment and here we highlight the major dissociation...
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Efficiency of acoustic heating produced in the thermoviscous flow of a fluid with relaxation
PublicationInstantaneous acoustic heating of a fluid with thermodynamic relaxation is the subject of investigation. Among others, viscoelastic biological media described by the Maxwell model of the viscous stress tensor, belong to this type of fluid. The governing equation of acoustic heating is derived by means of the special linear combination of conservation equations in differential form, allowing the reduction of all acoustic terms in...
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Optimization of combined heat and power (CHP) market allocation: The case of Poland
PublicationCombined heat and power (CHP), that is production of electricity and useful heat in a single thermodynamic process, is a way of primary energy saving and emission reduction. Therefore, promotion of the electricity from high-efficiency cogeneration (CHP-E) was encouraged in the European Union. However, CHP-E promotion mechanisms proved low effectiveness in certain countries, like Poland, where the prices of certificates of origin...
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Solvation of ionic liquids based on N -methyl- N -alkylmorpholinium cations in N,N -dimethylformamide and N,N -dimethylacetamide – Volumetric and compressibility studies
PublicationDensity and sound velocity of the solutions of ionic liquids based on N-alkyl-N-methyl- morpholinium cations: N-ethyl- -methylmorpholinium bis(trifluoromethanesulfonyl)imide, N-butyl-Nmethylmorpholinium bis(trifluoromethanesulfonyl)imide, N-octyl-N-methyl -morpholinium bis(trifluor omethanesulfonyl)imide and N-decyl-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide in N, N-dimethylformamide and N,N-dimethylacetamide were...
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Hydrodynamic reanalysis of water temperature and salinity in the Baltic Sea using the PM3D model
Open Research DataThe dataset contains the results of numerical modeling of water temperature and salinity in the Baltic Sea since 1998. A long-term reanalysis was performed using the three-dimensional hydrodynamic model PM3D (Kowalewski and Kowalewska-Kalkowska, 2017), a new version of the M3D model (Kowalewski, 1997). A numerical dynamic-thermodynamic model of sea...
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Principles and Developments of Solid-Phase Microextraction
PublicationSample preparation has been commonly considered a critical step of the analytical process. In this sense, remarkable efforts have been made to develop efficient sample preparation techniques which could overcome the limitations of conventional approaches. Since its inception in the early 1990’s, solid-phase microextraction (SPME) has become a widespread miniaturized sample preparation technique for extraction and preconcentration...
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On the Origin of Protein Superfamilies and Superfolds
PublicationDistributions of protein families and folds in genomes are highly skewed, having a small number of prevalent superfamiles/superfolds and a large number of families/folds of a small size. Why are the distributions of protein families and folds skewed? Why are there only a limited number of protein families? Here, we employ an information theoretic approach to investigate the protein sequence-structure relationship that leads to...
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Exergy Losses in the Szewalski Binary Vapor Cycle
PublicationIn this publication, we present an energy and exergy analysis of the Szewalski binary vapor cycle based on a model of a supercritical steam power plant. We used energy analysis to conduct a preliminary optimization of the cycle. Exergy loss analysis was employed to perform a comparison of heat-transfer processes, which are essential for hierarchical cycles. The Szewalski binary vapor cycle consists of a steam cycle bottomed with...
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How proteins bind to DNA: target discrimination and dynamic sequence search by the telomeric protein TRF1
PublicationTarget search as performed by DNA-binding proteins is a complex process, in which multiple factors contribute to both thermodynamic discrimination of the target sequence from overwhelmingly abundant off-target sites and kinetic acceleration of dynamic sequence interrogation. TRF1, the protein that binds to telomeric tandem repeats, faces an intriguing variant of the search problem where target sites are clustered within short fragments...
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CAUSALITY IN MODELS OF THERMAL PROCESSES IN SHIP ENGINE ROOMS WITH THE USE OF BOND GRAPH (BG) METHOD
PublicationWith a single approach to modeling elements of different physical nature, the method of Bond Graph (BG) is particularly well suited for modeling energy systems consisting of mechanical, thermal, electrical and hydraulic elements that operate in the power system engine room. The paper refers to the earlier presented new concept of thermal process modeling using the BG method. The authors own suggestions for determining causality...
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A Model of Thermal Energy Storage According to the Convention of Bond Graphs (BG) and State Equations (SE)
PublicationThe main advantage of the use of the Bond Graphs method and State Equations for modeling energy systems with a complex structure (marine power plants, hybrid vehicles, etc.) is the ability to model the system components of different physical nature using identical theoretical basis. The paper presents a method of modeling thermal energy storage, which is in line with basic BG theory. Critical comments have been put forward concerning...
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Pipeline System for Heat Transportation from Nuclear Power Plant – an Optimizing Approach
PublicationOver the last few years heat piping insulation technology and pump systems efficiency have been significantly improved. Reduced thermal losses encourage heat transportation over long distances. It provides an opportunity for increasing thermodynamic efficiency of Nuclear Power Plants (NPPs) that are often located in rural areas because of safety issues. It can be achieved by Combined Heat and Power (CHP) generation, as heat produced...
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THE THERMODYNAMIC ANALYSIS OF THE SZEWALSKI HIERARCHIC VAPOUR CYCLE COOPERATED WITH THE SYSTEM OF HEAT RECOVERY
PublicationIn this paper, thermodynamic analysis of the Szewalski hierarchic vapour cycle cooperated with the system of heat recovery from exhaust gases are presented. According to that purpose, the CFM (Computation Flow Mechanics [1,3]) approach has correctly been used. The whole system consists of the first traditional steam cycle, the second organic Rankine cycle (ORC) and system of heat recovery with use of water with temperature 90...
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Comparative study of a bottoming SRC and ORC for Joule–Brayton cycle cooling modular HTR exergy losses, fluid-flow machinery main dimensions, and partial loads
PublicationEnergy conversion efficiency increase in power plants with high-temperature gas-cooled reactors via implementation of the bottoming cycle was investigated under nominal and minimal thermal load of a high-temperature reactor (HTR). Heat transfer surface area and turbine outlet volumetric flow rate in bottoming cycles was also investigated. Water and two low-boiling point working fluids (ammonia and ethanol) were analyzed. Analyzed...
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Modelling of heat transfer in supercritical pressure recuperators
PublicationIn the paper presented is analysis of convective flow heat transfer at supercritical pressure in channels of heat exchanger working in the thermodynamic cycle. The modelling is based on the division of the flow into three regions, namely the heavy fluid, a two phase flow consisting of the heavy and light fluids and finally the light fluid flow. Modelling is concentrated on the region of simultaneous flow of two fluids divided into...
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Photoinduced electron transfer in 5-bromouracil labeled DNA. A contrathermodynamic mechanism revisited by electron transfer theories
PublicationThe understanding of the 5-bromouracil (BrU) based photosensitization mechanism of DNA damage is of large interest due to the potential applications in photodynamic therapy. Photoinduced electron transfer (ET) in BrU labeled duplexes comprising the 50 -GBrU or 50 -ABrU sequence showed that a much lower reactivity was found for the 50 -GBrU pattern. Since the ionization potential of G is lower than that of A, this sequence selectivity...
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Effect of choline chloride based natural deep eutectic solvents on aqueous solubility and thermodynamic properties of acetaminophen
PublicationIn this work, natural deep eutectic solvents (NADESs) containing choline chloride as hydrogen bond acceptor and 1,2-propanediol, malic acid and tartaric acid as hydrogen bond donors have been synthesized and applied to enhance the aqueous solubility of model sparingly water-soluble drug – acetaminophen. The results indicate that the greatest impact on the solubility of acetaminophen have deep eutectic solvents based on 1,2-propanediol...
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Why Are Left-Handed G-Quadruplexes Scarce?
PublicationG-quadruplexes (G4s) are nucleic acid structures crucial for the regulation of gene expression and genome maintenance. While they hold promise as nanodevice components, achieving desired G4 folds requires understanding the interplay between stability and structural properties, like helicity. Although right-handed G4 structures dominate the experimental data, the molecular basis for this preference over left-handed helicity is unclear....
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Molecular dynamics simulations reveal the balance of forces governing the formation of a guanine tetrad—a common structural unit of G-quadruplex DNA
PublicationG-quadruplexes (G4) are nucleic acid conformations of guanine-rich sequences, in which guanines are arranged in the square-planar G-tetrads, stacked on one another. G4 motifs form in vivo and are implicated in regulation of such processes as gene expression and chromosome maintenance. The structure and stability of various G4 topologies were determined experimentally; however, the driving forces for their formation are not fully...
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Theory versus experiment for vacuum Rabi oscillations in lossy cavities. II. Direct test of uniqueness of vacuum
PublicationThe paper continues the analysis of vacuum Rabi oscillations we started in part I [Phys. Rev. A 79, 033836 (2009)]. Here we concentrate on experimental consequences for cavity QED of two different classes of representations of harmonic-oscillator Lie algebras. The zero-temperature master equation, derived in part I for irreducible representations of the algebra, is reformulated in a reducible representation that models electromagnetic...
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Thermodynamic Cycle Concepts for High-Efficiency Power Plants. Part B: Prosumer and Distributed Power Industry
PublicationAn analysis was carried out for different thermodynamic cycles of power plants with air turbines. A new modification of a gas turbine cycle with the combustion chamber at the turbine outlet has been described in the paper. A special air by-pass system of the combustor was applied, and in this way, the efficiency of the turbine cycle was increased by a few points. The proposed cycle equipped with an effective heat exchanger could...
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Adsorption of Cr(VI) in aqueous solution using sago bark (Metroxylon sagu) as a new potential biosorbent
PublicationThis paper investigated the ability of sago bark (Metroxylon sagu) as a new potential biosorbent in removing Cr(VI) in batch system. The optimum adsorption capacity of sago bark (Metroxylon sagu) was 61.73 mg/g achieved at pH 3, agitation rate of 100 rpm, contact time 60 min, particle size ≤32 μm, and initial concentration of Cr(VI) 1,000 mg/L at room temperature (25°C). The adsorbent regeneration was carried out using 0.01 M HNO3...
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Ternary Bismuthide SrPtBi2: Computation and Experiment in Synergism to Explore Solid-State Materials
PublicationA combination of theoretical calculation and the experimental synthesis to explore the new ternary compound is demonstrated in the Sr–Pt–Bi system. Because Pt–Bi is considered as a new critical charge-transfer pair for superconductivity, it inspired us to investigate the Sr–Pt–Bi system. With a thorough calculation of all the known stable/metastable compounds in the Sr–Pt–Bi system and crystal structure predictions, the thermodynamic...
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A compartment model of alveolar–capillary oxygen diffusion with ventilation–perfusion gradient and dynamics of air transport through the respiratory tract
PublicationThis paper presents a model of alveolar–capillary oxygen diffusion with dynamics of air transport through the respiratory tract. For this purpose electrical model representing the respiratory tract mechanics and differentia equations representing oxygen membrane diffusion are combined. Relevant thermodynamic relations describing the mass of oxygen transported into the human body are proposed as the connection between these models,...
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Utilisation of waste heat from the power plant by use of the ORC aided with bleed steam and extra source of heat
PublicationUtilization of waste heat recovered from the exhaust gases of the power generation unit by means of ORC (organic Rankine cycles) installation is considered. The waste heat is available in the form of a stream of hot water having temperature of 90 stC in the amount of 200 MWt. To increase evaporation temperaturę of ORC working fluid the heat of steam from the extraction points from the low-pressure part of steam turbine is used....
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In situ study of a composition of outlet gases from biogas fuelled Solid Oxide Fuel Cell performed by the Fourier Transform Infrared Spectroscopy
PublicationThe purpose of this study was to develop a method and software based on the Fourier Transform Infrared Spectroscopy for the in-situ, quantitative analysis of the composition of outlet gases from Solid Oxide Fuel Cell (SOFC). The calibration procedure performed at the beginning of the experiment indicated a polynomial dependence between the concentration of a calibrating gas (CO, CO2, CH4) and the corresponding integrated absorbance in...
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Self-assembly, stability and conductance of amphotericin B channels: bridging the gap between structure and function
PublicationAmphotericin B (AmB), one of the most powerful but also toxic drugs used to treat systemic mycoses, is believed to selectively permeabilize fungal cell membranes to ions in a sterol-dependent manner. Unfortunately, the structure of the biologically active AmB channels has long eluded researchers, obstructing the design of safer alternatives. Here, we investigate the structural and thermodynamic aspects of channel formation, stability,...
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Improved Performance of 1-Ethyl-3-Methylimidazolium Tetrafluoroborate at Steel/HCl Interface by Iodide Ions
PublicationThe corrosion and corrosion inhibition of St37 steel in 0.1 M HCl solution by 1-ethyl-3-methylimidazolium tetrafluoroborate (EMITFB) and the effect of addition of KI on the inhibitive performance of EMITFB have been examined by electrochemical [electrochemical impedance spectroscopy, potentiodynamic polarization, and dynamic electrochemical impedance spectroscopy (DEIS)] and surface examination [scanning electron microscope (SEM)...
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Nonlinear properties of the Gotland Deep – Baltic Sea
PublicationThe properties of the nonlinear phenomenon in water, including sea water, have been well known for many decades. The feature of the non homogeneous distribution of the speed of sound along the depth of the sea is very interesting from the physical and technical point of view. It is important especially in the observation of underwater area by means of acoustical method ( Grelowska et al ., 2013; 2014). The observation of the underwater...
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Solvation of ionic liquids based on N-methyl-N-alkyl morpholinium cations in dimethylsulfoxide – volumetric and compressibility studies
PublicationThe density and sound velocity of the solutions of ionic liquids based on N-alkyl-N-methyl-morpholinium cations, N-ethyl-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide, N-butyl-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide, N-methyl-N-octyl-morpholinium bis(trifluoromethanesulfonyl)imide and N-decyl-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide in dimethylsulfoxide were measured at T = (298.15 to 318.15)...
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Pilot installation for thermal utilization of meat-and-bone meal using the rotary kiln pyrolyzer and the fluidised bed boiler
PublicationThe technology of thermal utilization of meat-and-bone meal (MBM) is still at the research state. However, there are already a number of existing pilot-scale installations that provide the complete, effective and environmentally safe process conducting. The universal technology was developed that allows to combust various types of waste, including animal waste, municipal waste and sludge, mixed at any ratio with different types...
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Long-term hindcast simulation of sea level in the Baltic Sea
Open Research DataThe dataset contains the results of numerical modelling of sea level fluctuations over a period of 50 years (1958-2007) in the Baltic Sea. A long-term hindcast simulation was performed using a three-dimensional hydrodynamic model PM3D (Kowalewski and Kowalewska-Kalkowska, 2017), a new version of the M3D model (Kowalewski, 1997). The hydrodynamic model...
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Protection and viability of fruit seeds oils by nanostructured lipid carrier (NLC) nanosuspensions
PublicationIn this paper, we focused on the development of nanostructured lipid carriers (NLCs) for dermal application. The NLC matrix was designed as a protective reservoir of biological active compounds that naturally occur in domestic fruit seed oils. Over the years, emulsions, as a popular physicochemical form of personal care products, were refined in order to obtain the best possible penetration into the skin of any bioactive compound...
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Communication: Inside the water wheel: Intrinsic differences between hydrated tetraphenylphosphonium and tetraphenylborate ions
PublicationTetraphenylphosphonium tetraphenylborate (TPTB) is a common reference electrolyte in physical chemistry of solutions allowing for a convenient partitioning of thermodynamic properties into single-ion contributions. Here, we compute on the basis of ab initio molecular dynamics simulations the infrared (IR) spectra for hydrated constituent ions of the TPTB assumption. Using spectral decomposition techniques, we extract important...
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Thermodynamics and kinetics of amphotericin B self-association in aqueous solution characterized in molecular detail
PublicationAmphotericin B (AmB) is a potent but toxic drug commonly used to treat systemic mycoses. Its efficiency as a therapeutic agent depends on its ability to discriminate between mammalian and fungal cell membranes. The association of AmB monomers in an aqueous environment plays an important role in drug selectivity, as oligomers formed prior to membrane insertion – presumably dimers – are believed to act differently on fungal (ergosterol-rich)...
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Interactions of telomeric proteins with nucleic acids: sequence recognition on intact and oxidatively damaged telomeres
PublicationTelomeres are complex nucleoprotein assemblies that play a vital role in the maintenance of functional ends of linear chromosomes. Telomeric DNA, composed of tandem repeats of the 5'-TTAGGG-3' motif, solves the so-called end replication problem: as chromosomes shorten with each cell division, no information is lost, and the telomere can be re-extended. In the cell, many protein factors regulate telomere length, nuclear positioning...
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Technical and economic conditions of supplying residential consumers with heat from nuclear power plant
PublicationThe reduction of CO2 emission requires technological shift towards carbon-free options. Cogeneration of electricity and heat based on coal and natural gas will experience generation cost increase, if the costs of emissions are imposed on the plant operators. Therefore, nuclear and renewable options should be considered. In this paper, we present the concept of electricity and heat supply system with nuclear condensing turbine adapted...
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Mechanical Strength of MV Ship-switchgear During Fault Arc
PublicationIn the paper the analysis of pressure stressed in enclosure during fault arc inside switchgear is pre-sented as well. There is introduced the method based on determining stresses which are sum of tensile stresses (membrane) and deflection stresses. For tensile stresses nalysis the energy method, for unrestrainedly supported rectangular plate, was used. In the further part of the paper, the calculations and measurements results...
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Thermodynamics aspects of interactions between acridine derivatives and DNA
PublicationDNA is a molecular target for many anticancer and antiviral drugs. Therefore, a clear understanding of the interaction of small molecules with DNA is important in the rational design of ligands that can bind to DNA with high affinity and selectivity. There are several methods to investigate interactions between drug and DNA. Some of them measure changing into DNA structures, such as lengthening and untwisting of helix of DNA. Other...
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Post-Pyrolytic Carbon as a Phase Change Materials (PCMs) Carrier for Application in Building Materials
PublicationThis article covers new application for char as a carrier of phase-change materials (PCM) that could be used as an additive to building materials. Being composed of bio-char and PCM, the granulate successfully competes with more expensive commercial materials of this type, such as Micronal® PCM. As a PCM carrier, char that was obtained from the pyrolysis of chestnut fruit (Aesculus hippocastanum) with different absorbances of the...
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Compact High Efficiency and Zero-Emission Gas-Fired Power Plant with Oxy-Combustion and Carbon Capture
PublicationReduction of greenhouse gases emissions is a key challenge for the power generation industry, requiring the implementation of new designs and methods of electricity generation. This article presents a design solution for a novel thermodynamic cycle with two new devices—namely, a wet combustion chamber and a spray-ejector condenser. In the proposed cycle, high temperature occurs in the combustion chamber because of fuel combustion...
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Structural Adaptive, Self-Separating Material for Removing Ibuprofen from Waters and Sewage
Publication-cyclodextrin nanosponge (CDM) was used for the adsorption of ibuprofen (IBU) from water and sewage. The obtained material was characterized by scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR), Brunauer–Emmett–Teller (BET), Barrett– Joyner–Halenda (BJH), Harkins and Jura t-Plot, zeta potential, thermogravimetric analysis (TGA), differential scanning calorimetry (DSC) and elementary analysis (EA)....
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Reduction of CO2 Emissions from Offshore Combined Cycle Diesel Engine-Steam Turbine Power Plant Powered by Alternative Fuels
PublicationDiverse forms of environmental pollution arise with the introduction of materials or energy that exert adverse effects on human health, climate patterns, ecosystems, and beyond. Rigorous emission regulations for gases resulting from fuel combustion are being enforced by the European Union and the International Maritime Organization (IMO), directed at maritime sectors to mitigate emissions of SOx, NOx, and CO2. The IMO envisions...
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Computational analysis of substituent effects on proton affinity and gas-phase basicity of TEMPO derivatives and their hydrogen bonding interactions with water molecules
PublicationThe study investigates the molecular structure of 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) and its derivatives in the gas phase using B3LYP and M06-2X functional methods. Intermolecular interactions are analyzed using natural bond orbital (NBO) and atoms in molecules (AIM) techniques. NO2-substituted TEMPO displays high reactivity, less stability, and softer properties. The study reveals that the stability of TEMPO derivatives...
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Long-term hindcast simulation of water temperature and salinity in the Baltic Sea
Open Research DataThe dataset contains the results of numerical modelling of water temperature and salinity over a period of 50 years (1958-2007) in the Baltic Sea. A long-term hindcast simulation was performed using a three-dimensional hydrodynamic model PM3D (Kowalewski and Kowalewska-Kalkowska, 2017), a new version of the M3D model (Kowalewski, 1997). The hydrodynamic...
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Long-term hindcast simulation of currents in the Baltic Sea
Open Research DataThe dataset contains the results of numerical modelling of currents over a period of 50 years (1958-2007) in the Baltic Sea . A long-term hindcast simulation was performed using a three-dimensional hydrodynamic model PM3D (Kowalewski and Kowalewska-Kalkowska, 2017), a new version of the M3D model (Kowalewski, 1997). The hydrodynamic model was coupled...
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Mechanochemical Energy Transduction during the Main Rotary Step in the Synthesis Cycle of F1-ATPase
PublicationF1-ATPase is a highly efficient molecular motor that can synthesize ATP driven by a mechanical torque. Its ability to function reversibly in either direction requires tight mechanochemical coupling between the catalytic domain and the rotating central shaft, as well as temporal control of substrate binding and product release. Despite great efforts and significant progress, the molecular details of this synchronized and fine-tuned...
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Role of the disulfide bond in stabilizing and folding of the fimbrial protein DraE from uropathogenic Escherichia coli
PublicationDr fimbriae are homopolymeric adhesive organelles of uropathogenic Escherichia coli composed of DraE subunits, responsible for the attachment to host cells. These structures are characterized by enormously high stability resulting from the structural properties of an Ig-like fold of DraE. One feature of DraE and other fimbrial subunits that makes them peculiar among Ig-like domain-containing proteins is a conserved disulfide bond...
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An effective method for studying intermolecular interactions in binary liquids with hydrogen bonds: FTIR spectra and ab initio calculations in the N-methylformamide - methanol system
PublicationMolecular complexes in methanol (MeOH)−N-methylformamide (NMF) mixtures were studied based on their FTIR-ATR spectra, to which two methods of analysis were applied: factor analysis and a quantitative version of the difference-spectra method. The mean composition of a complex between NMF and MeOH molecules over the whole range of mixture compositions was determined. Absorbing species differentiated with regard to the interaction...
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On design and analysis of flow characteristics of the last stage of gas-steam turbine
PublicationResearch regarding blade design and analysis of flow have been conducted for over a century. Meanwhile new concepts and design approaches were created and improved. Advancements in information technologies allowed to introduce computational fluid dynamics (CFD) and computational flow mechanics (CFM). Currently a combination of mentioned methods is used for design of turbine blades. These methods enabled us to improve flow efficiency...
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FURTHER REMARKS ON THE NEO-CLASSICAL NAVIER-STOKES EQUATIONS
PublicationThe seminal Navier-Stokes equations have been stated yet before creation of principles of thermodynamics and the first and second laws. In the literature there is the common opinion that the Navier-Stokes equations cannot be taken as a thermodynamically correct model of “working fluid” which is able to describe transformation of “ heat” into “work” and vice versa. Therefore, in the paper, a new exposition of thermodynamically...
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Analiza egzergetyczna bloku gazowo parowego współpracującego z obiegiem ORC
PublicationW pracy przedstawiono sposób przeprowadzania bilansu egzergetycznego dla obiegu Clausiusa – Rankina. Następnie przy pomocy programu EES współpracującego z bazą REFPROP 9.0 (Reference Fluid Thermodynamic and Transport Properties Database) [6] wykonany został bilans egzergetyczny dla układu kaskadowego siłowni CCGT – ORC, w którym blok gazowo – parowy współpracuje z obiegiem ORC. Obliczenia wykonano w oparciu o rzeczywiste parametry...
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Intermolecular Interactions as a Measure of Dapsone Solubility in Neat Solvents and Binary Solvent Mixtures
PublicationDapsone is an effective antibacterial drug used to treat a variety of conditions. However, the aqueous solubility of this drug is limited, as is its permeability. This study expands the available solubility data pool for dapsone by measuring its solubility in several pure organic solvents: N-methyl-2-pyrrolidone (CAS: 872-50-4), dimethyl sulfoxide (CAS: 67-68-5), 4-formylmorpholine (CAS: 4394-85-8), tetraethylene pentamine (CAS:...
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Chemical analysis of low carbon content coals and their applications as dye adsorbent
PublicationCoal is primarily a fuel material but lately it has been utilized as an adsorbent for removing toxic metal ions. However, its usage for removing organic pollutants is not well studied. We report here a systematic study on the use of coal samples of varying carbon contents as adsorbents for removing Basic Blue 41 as a model cationic dye. The coal samples were collected from coal mines and were thoroughly characterized. The concentrations...
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Solubility of carbon dioxide in water: Some useful results for hydrate nucleation
PublicationIn this paper, the solubility of carbon dioxide (CO2) in water along the isobar of 400 bar is determined by computer simulations using the well-known TIP4P/Ice force field for water and the TraPPE model for CO2. In particular, the solubility of CO2 in water when in contact with the CO2 liquid phase and the solubility of CO2 in water when in contact with the hydrate have been determined. The solubility of CO2 in a liquid–liquid...
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Generation and Characterization of a DNA-GCN4 Oligonucleotide-Peptide Conjugate: The Impact DNA/Protein Interactions on the Sensitization of DNA
PublicationRadiotherapy, the most common therapy for the treatment of solid tumors, exerts its effects by inducing DNA damage. To fully understand the extent and nature of this damage, DNA models that mimic the in vivo situation should be utilized. In a cellular context, genomic DNA constantly interacts with proteins and these interactions could influence both the primary radical processes (triggered by ionizing radiation) and secondary reactions,...
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5-Selenocyanato and 5-trifluoromethanesulfonyl derivatives of 2′-deoxyuridine: synthesis, radiation and computational chemistry as well as cytotoxicity
Publication5-Selenocyanato-2′-deoxyuridine (SeCNdU) and 5-trifluoromethanesulfonyl-2′-deoxyuridine (OTfdU) have been synthesized and their structures have been confirmed with NMR and MS methods. Both compounds undergo dissociative electron attachment (DEA) when irradiated with X-rays in an aqueous solution containing a hydroxyl radical scavenger. The DEA yield of SeCNdU significantly exceeds that of 5-bromo-2′-deoxyuridine (BrdU), remaining...
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Molecular level interpretation of excess infrared spectroscopy
PublicationInfrared (IR) spectroscopy is an invaluable tool in studying intermolecular interactions in solvent mixtures. The deviation of the IR spectrum of a mixture from the spectra of its pure components is a sensitive measure of the non-ideality of solutions and the modulation of intermolecular interactions introduced by mutual influence of the components. Excess IR spectroscopy, based on the established notion of excess thermodynamic...
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Experimental and theoretical investigation of the reactivity of [(BDI*)Ti(Cl){η2-P(SiMe3)-PiPr2}] towards selected ketones
PublicationIn this work, we report a new type of reactivity of [(BDI*)Ti(Cl){η2-P(SiMe3)-PiPr2}] (1) towards ketones (BDI* = 2,6-diisopropylphenyl-β-methyldiketiminate ligand). In the reaction of 1 with acetone, cyclopentanone or cyclohexanone, a ketone moiety is inserted into Ti–Pphosphanyl or Ti–Pphosphido bonds to form complexes with a new C–P–P moiety, providing [(BDI*)Ti(Cl){η2-P(SiMe3)-PiPr2-C(Me)2O}] (2a), [(BDI*)Ti(Cl){η2-OC(Me)2P(SiMe3)-PiPr2}]...
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Direct-contact condensation from vapour- gas mixture in a spray ejector condenser for negative CO2 power plant
PublicationDirect-contact condensation of vapour containing the inert gas on a spray of subcooled liquid exists in a number of technical applications. For example, it may be found in the nuclear industry (e.g. pressurized jet under normal operating conditions, in safety analyses) or in the chemical industry (e.g. mixing-type heat exchanger, degasser, sea water desalting). The problem is also essential to modelling and analysis of some...
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Solubility of Methane in Water: Some Useful Results for Hydrate Nucleation
PublicationIn this paper, the solubility of methane in water along the 400 bar isobar is determined by computer simulations using the TIP4P/Ice force field for water and a simple LJ model for methane. In particular, the solubility of methane in water when in contact with the gas phase and the solubility of methane in water when in contact with the hydrate has been determined. The solubility of methane in a gas–liquid system decreases as temperature...
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Analysis of cyclone separator solutions depending on SEC outlet conditions in nCO2PP
PublicationUtilization of spray ejector condenser in order to carry out direct-contact condensation of vapour with inert gas (CO2) on a spray of subcooled liquid integrated with separator (to make pure CO2) has been proposed for the task of condensation and CO2 separation in the negative CO2 emission gas power plant. Condensation and separation has a significant impact on the thermodynamic efficiency of the entire negative CO2 emission gas...
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Investigation on domestic fruits seed oils in personal care emulsion systems
PublicationThe use of fruit seed oils in personal care products is of significance to both their function and image. Poland is an important processor of fruit products within the EU, and thus has a large availability of seeds from domestic fruits, which are normally considered to be a waste material. Unfortunately, current literature is scarce of the suitability of these oils for topical use in the form of cosmetic emulsions. Published data...
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A study of a compact high-efficiency zero-emission power plant with oxy-fuel combustion
PublicationThis paper discusses the application of global trends in gas cycles technology using oxy-fuel combustion. This is followed by a demonstration of a design solution for a new cycle with two enhanced energy-converting devices, namely a wet combustion chamber and a spray-ejector condenser. The proposed gas and steam cycle unit is contained within a single turbine, whose benefits combine those offered by gas turbines (high inlet temperatures)...
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Identification of damages in the inlet air duct of a diesel engine based on exhaust gas temperature measurements
PublicationThe temperature of the exhaust gas of a diesel piston engine, measured in the characteristic control sections of its thermo-flow system, can be a valuable source of diagnostic information about the technical condition of the elements limiting the working spaces thus separated, including the turbocharging system, but also its fuel supply system and replacement of the medium. In standard marine engine measurement systems equipped...
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Techno-economic evaluation of combined cycle gas turbine and a diabatic compressed air energy storage integration concept
PublicationMore and more operational flexibility is required from conventional power plants due to the increasing share of weather-dependent renewable energy sources (RES) generation in the power system. One way to increase power plant’s flexibility is integrating it with energy storage. The energy storage facility can be used to minimize ramping or shutdowns and therefore should lower overall generating costs and CO2 emissions. In this article,...
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Predicting sulfanilamide solubility in the binary mixtures using a reference solvent approach
PublicationBackground. Solubility is a fundamental physicochemical property of active pharmaceutical ingredients. The optimization of a dissolution medium aims not only to increase solubility and other aspects are to be included such as environmental impact, toxicity degree, availability, and costs. Obtaining comprehensive...
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Intermolecular Interactions of Edaravone in Aqueous Solutions of Ethaline and Glyceline Inferred from Experiments and Quantum Chemistry Computations
PublicationEdaravone, acting as a cerebral protective agent, is administered to treat acute brain infarction. Its poor solubility is addressed here by means of optimizing the composition of the aqueous choline chloride (ChCl)-based eutectic solvents prepared with ethylene glycol (EG) or glycerol (GL) in the three different designed solvents compositions. The slurry method was used for spectroscopic solubility determination in temperatures...