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Wyniki wyszukiwania dla: ENTHALPY OF FORMATION
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Enthalpy of formation of the CaLi2 phase
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Enthalpy of formation of the Li22Si5 intermetallic compound
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Enthalpy of formation of Li2Sb and Li3Sb and mixing enthalpy of liquid Li–Sb alloys
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Enthalpy of formation of intermetallic compounds from the Li–Si system
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Enthalpy of formation of Au–Sn intermetallic phases. Part II
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Enthalpy of formation of intermetallic phases from the Au–Sn system
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Enthalpy of formation of intermetallic phases from Al–Ni and Al–Ni–Ti systems
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Enthalpy of formation of B13Li, B14Li3 and B3Li (B6Li2) compounds measured with reaction calorimetric method
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Enthalpy of formation of intermetallic phases from Al–Li system by solution and direct reaction calorimetric method
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Formation Enthalpy of Bli Intermediate Phase
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Formation enthalpy of Ga-Li intermetallic phases. Experiment vs. calculations
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Enthalpy of Formation of Intermetallic Phases from Fe-Ni-Ti System. Comparative Studies / Entalpia Tworzenia Faz Międzymetalicznych Z Układu Fe-Ni-Ti. Studia Porównawcze
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Formation enthalpy of intermetallic phases from Ag–Ca system. Experiment vs. modeling
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Formation enthalpy of intermetallic phases from Al–Fe system measured with solution calorimetric method
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Buffer contribution to formation enthalpy of copper(II)–bicine complex determined by isothermal titration calorimetry method
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Enthalpies of formation of rare earth niobates, RE3NbO7
PublikacjaHigh-temperature oxide melt solution calorimetry was used to investigate energetics of a series of rare earth niobates RE3NbO7. All of investigated compounds were found to be stable in enthalpy in respect to their oxides. The enthalpy of formation from oxides becomes more exothermic as the size of the RE cation increases, a trend seen previously in other RE compounds including pyrochlores, perovskites, and phosphates. For smaller...
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Formation enthalpies of LaLn׳O3 (Ln׳=Ho, Er, Tm and Yb) interlanthanide perovskites
PublikacjaHigh-temperature oxide melt solution calorimetry using 3Na2O·MoO3 at 802 °C was performed for interlanthanide perovskites LaLn׳O3 (Ln׳=Ho, Er, Tm and Yb) and lanthanide oxides (La2O3, Ho2O3, Er2O3, Tm2O3 and Yb2O3). The enthalpies of formation of these interlanthanide perovskites from binary lanthanide oxides at room temperature (25 °C) were determined to be −8.3±3.4 kJ/mol for LaHoO3, −9.9±3.0 kJ/mol for LaErO3, −10.8±2.7 kJ/mol...
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Influence of Antimony Substitution on Spontaneous Strain and Thermodynamic Stability of Lanthanum Orthoniobate
PublikacjaThe analysis of the antimony substitution influence on temperature dependence of unit cell distortion has been done. The values of spontaneous strain and Landau order parameter for three different antimony contents varied had been calculated. The phase transition occurring for antimony substituted lanthanum orthoniobate was found to be second order. The high temperature solution calorimetry method has been used to investigate...
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Conductivity, structure, and thermodynamics of Y2Ti2O7–Y3NbO7 solid solutions
PublikacjaThe defect fluorite yttrium niobate Y3NbO7 and pyrochlore yttrium titanate Y2Ti2O7 solid solutions have been synthesized via a solid state synthesis route. The resulting stoichiometry of the oxides is Y2+xTi2−2xNbxO7, where x = 0 to x = 1. All of the samples were single-phase; however, for those with a predominant fluorite phase, a small amount of additional pyrochlore phase was detected. The volume of the solid solution unit cells...
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The influence of reactions conditions on aggregation of dyes used in biochemistry
PublikacjaSelf-association of dyes and related substances is a very important phenomenon in many fields of applied chemistry. It is also fundamental model reaction of many kinds of molecular interactions such as the micelle formation of amphiphilic substances and the binding of small organic molecules to macromolecules. In spite of many studies concerning the dimerization equilibria of dyes and related substances, the mechanism seems not...
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Molecular and structural characteristics of cod gelatin films modifiedwith EDC and TGase
PublikacjaCod gelatin films before and after cross-linking of gelatin with 1-ethyl-3-(3-dimethylaminopropyl) carbodiimide (EDC) or transglutaminase (TGase) have been characterized by FT-IR spectroscopy and DSC analysis. For comparison, a film prepared from unmodified pig gelatin has been also analysed. The difference spectra showed that cod gelatin during the film formation involved first of all water-to-amide hydrogen bonds, and the film...
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Applicability of phenolic acids as effective enhancers of cocrystals solubility of methylxanthines
PublikacjaApplicability of phenolic acids as potential cocrystal formers for methylxanthine derivatives was analyzed both in terms of cocrystallization probabilities and solubility advantage. The cocrystal formation abilities were evaluated using mixing enthalpy estimated within the conductor like screening model for real solvents (COSMO-RS) framework. The solubility improvement of potential cocrystals was estimated by formulation of the...
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The reductivity of the transition metals - calculations
Dane BadawczeThe dataset includes the reduction enthalpy and Gibbs energy simulated for Co, Cu, Fe, La, Mo, Ni, Sr, Ti, and W from oxide form into metallic form in hydrogen. Simulations were performed using HSC Chemistry software.
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Thermodynamics aspects of interactions between acridine derivatives and DNA
PublikacjaDNA 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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Charge density wave and crystalline electric field effects in TmNiC2
PublikacjaSingle crystals of TmNiC2 were grown by the optical floating-zone technique and were investigated by x-ray diffraction (XRD), thermal expansion, electrical resistivity, specific heat, and magnetic susceptibility measurements. Single-crystal XRD reveals the formation of a commensurate charge density wave (CDW) characterized by a CDW modulation vector q2c = (0.5, 0.5, 0.5), which is accompanied by a symmetry change from the orthorhombic...
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Bimetallic Bi/Cu0-catalyzed persulfate-based advanced oxidation processes towards clofibric acid degradation in wastewater
PublikacjaClofibric acid (CFA), an important blood-lipid regulatory drug is an emerging organic pollutant and widely reported in water resources. A novel bimetallic, bismuth/zero valent cupper (Bi/Cu0) catalyst was prepared which showed better physiological, structural, and catalytic properties than Cu0. The Bi/Cu0 effectively catalyzed persulfate (S2O82−) and caused 85% degradation of CFA. The Bi coupling improved reusability and stability...
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Problem of aggregation in dye-DNA interaction, calorimetry studies
PublikacjaNucleic acids are the biological target for many antimicrobial, antitumor and antiviral drugs. Ligand-DNA interactions can be classified into two major categories: 1. covalent binding, which can provide to intermolecular adducts, 2. physico-chemical interactions, which can be divided into intercalation (e.g. adriamycin) or groove binding (e.g. dystamycin). There are several methods to investigate interactions between drug and DNA....
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Application of the F-statistic of the Fisher-Snedecor distribution to analyze the significance of the effect of changes in the compression ratio of a diesel engine on the value of the specific enthalpy of the exhaust gas flow
PublikacjaThe paper discusses the impact of changes in the compression ratio on the operating parameters of a diesel engine, e.g. on the temperature of exhaust gases. It presents the construction of the laboratory test stand, on which experimental measurements were realized. It is characterized how the actual changes of the compression ratio were introduced to the existing engine. The program of experimental investigations taking into account...
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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
PublikacjaThe 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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Adoption of the F-statistic of Fisher-Snedecor distribution to analyze importance of impact of modifications of injector opening pressure of a compression ignition engine on specific enthalpy value of exhaust gas flow
PublikacjaThis article analyzes the effect of modifications of injector opening pressure on the operating values of a compression ignition engine, including the temperature of the fumes. A program of experimental investigation is described, considering the available test stand and measurement capabilities. The structure of the test stand on which the experimental measurements were conducted is presented. The method of introducing real modifications...
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Mechanism of Osmolyte Stabilization–Destabilization of Proteins: Experimental Evidence
PublikacjaIn this work, we investigated the influence of stabilizing (N,N,N-trimethylglycine) and destabilizing (urea) osmolytes on the hydration spheres of biomacromolecules in folded forms (trpzip-1 peptide and hen egg white lysozyme─hewl) and unfolded protein models (glycine─GLY and N-methylglycine─NMG) by means of infrared spectroscopy. GLY and NMG were clearly limited as minimal models for unfolded proteins and should be treated with...
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Thermodynamic interpretation and prediction of CO2 solubility in imidazolium ionic liquids based on regular solution theory
PublikacjaRegular solution theory (RST) is the most popular model for the interpretation of the interaction between CO2 and ionic liquids. In the present work, the parameters of this model were determined for the CO2 absorption in eleven imidazolium ionic liquids. The y-intercept (A) of the RST model for the investigated imidazolium liquids increases with increasing temperature whereas the slope (B) remains constant. The values of RST parameters...
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Diagnosing marine turbine engines through energy characteristics of their flow section
PublikacjaThe aim of the performed research was to develop of diagnostic method of the flow section of a marine turbine combustion engine based on the level of delamination of its energy characteristics. The here adopted diagnostic model provides for a formulation of the evaluation of the technical conditions based on the measurements of the parameters of the thermodynamic medium in the characteristic control cross-sections of the engine...
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EXHAUST GAS TEMPERATURE MEASUREMENTS IN DIAGNOSTICS OF TURBOCHARGED MARINE INTERNAL COMBUSTION ENGINES PART II DYNAMIC MEASUREMENTS
PublikacjaThe second part of the article describes the technology of marine engine diagnostics making use of dynamic measurements of the exhaust gas temperature. Little-known achievements of Prof. S. Rutkowski of the Naval College in Gdynia (now: Polish Naval Academy) in this area are presented. A novel approach is proposed which consists in the use of the measured exhaust gas temperature dynamics for qualitative and quantitative assessment...
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A Simple Replica Method as the Way to Obtain a Morphologically and Mechanically Bone-like Iron-Based Biodegradable Material
PublikacjaPorous iron-based scaffolds were prepared by the simple replica method using polyurethane foam as a template and applying the sintering process in a tube furnace. Their surface morphology was characterized using scanning electron microscopy (SEM) and phase homogeneity was confirmed using X-ray diffraction (XRD). Corrosion behavior was determined using immersion and potentiodynamic polarization methods in phosphate buffered saline...
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Comparison of methods for diagnosing marine IC engines based on working medium parameters including exhaust gas specific enthalpy
PublikacjaArticle points out methods currently used to diagnose marine engines in operation. The development of tools and programs for implementing these methods was pointed out. The problem of unsatisfactory measurement susceptibility of marine engines was highlighted. Three methods of parametric diagnosis are presented: measurement of in-cylinder parameters and in exhaust gas duct, numerical simulation due to computer software and calculations...
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Combined operation of 900MW power plant with the ORC through the bleed steam extraction point and CO2 recovery system
PublikacjaThe work presented here is aimed at utylisation of waste heat in the reference supercritical power plant in the manner to produce electricity in ORC installation. The waste heat is available in the form of a stream of hot water at 90 C, recovered from the exhaust gases in the amount of 200MW. Such low enthalpy heat source is rather insufficient to produce a good quality vapour to feed the ORC turbine. Therefore an original approach...
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Theoretical and Economic Evaluation of Low-Cost Deep Eutectic Solvents for Effective Biogas Upgrading to Bio-Methane
PublikacjaThis paper presents the theoretical screening of 23 low-cost deep eutectic solvents (DESs) as absorbents for effective removal of the main impurities from biogas streams using a conductor-like screening model for real solvents (COSMO-RS). Based on thermodynamic parameters, i.e., the activity coefficient, excess enthalpy, and Henry’s constant, two DESs composed of choline chloride: urea in a 1:2 molar ratio (ChCl:U 1:2), and choline...
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Microwave-assisted synthesis of zinc derivatives of potato starch
PublikacjaZincatated potato starch was prepared in a solid-state, microwave-assisted reaction using generated in situ sodium tetrahydroxozincate [Na2Zn(OH)4]. For comparison, zincatation of starch was also carriedout on convectional heating. Depending on the irradiation conditions, the products of either mono- or crosslinking esterification were formed. Higher power applied at shorter exposition offered products ofmonoesterification, and...
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Operation of the 900 MW power plant with the ORC supplied from three heat sources
PublikacjaThe chapter is aimed at utilisation of waste heat in the reference supercritical power plant in the manner to produce electricity in ORC installation. The waste heat is available in the form of a stream of hot water at 90°C, recovered from the exhaust gases in the amount of 200MW. Such low enthalpy heat source is rather insufficient to produce a good quality vapour to feed the ORC turbine. Therefore an original approach to increase...
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Systematic Water Uptake Energetics of Yttrium-Doped Barium Zirconate—A High Resolution Thermochemical Study
PublikacjaA combination of surface area analyzer and microcalorimetry was employed to investigate the in situ water uptake energetics and the mechanism of proton incorporation in yttrium-doped barium zirconate in the temperature range 200–400 °C. The BaZr1–xYxO3 solid solutions are made with variable yttrium content (x = 10, 20, and 30 mol %) by a controlled oxidant-peroxo synthesis method. The water uptake increases as the partial pressure...
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Polycyclic aromatic hydrocarbons as test probes to investigate the retention behavior of 1,3-alternate calix[4]arene silica-bonded stationary phases
PublikacjaA series of polycyclic aromatic hydrocarbons (PAHs) of different size and shape has been used to characterize the chromatographic behavior of five calix[4]arene stationary phases in 1,3-alternate conformation synthesized in our laboratory. The selection of linear, fourring nonlinear, and five-ring PAHs gave data on selectivity changes across range of the calix[4]arene columns. Retention of the 12 aromatic solutes has been evaluated...
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Effect of urea and glycine betaine on the hydration sphere of model molecules for the surface features of proteins
PublikacjaWater properties may significantly affect protein stability. Osmolytes are compounds that intrinsically affect water in many different ways and thus can influence proteins with this type of indirect mechanism. In this study, we characterize water properties in ternary solutions: model–water–osmolyte, with two model molecules: N-methylacetamide (NMA) and dimethyl sulfoxide (DMSO) and two osmolytes: glycine betaine (TMG)and urea....
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Evaluation of the significance of the effect of the active cross-sectional area of the inlet air channel on the specific enthalpy of the exhaust gas of a diesel engine using statistics F of the Fisher-Snedecor distribution
PublikacjaThis paper presents the application of Fisher-Snedecor distribution F statistics to assess the significance of the influence of changes in the active cross-sectional area of the inlet air channel (Adol) flow in a diesel engine on the observed diagnostic parameter determined on the basis of measurements of the quick changing exhaust gas temperature in the outlet channel, which is the specific enthalpy of the exhaust gas stream within...
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Multicomponent ionic liquid CMC prediction
PublikacjaWe created a model to predict CMC of ILs based on 704 experimental values published in 43 publications since 2000. Our model was able to predict CMC of variety of ILs in binary or ternary system in a presence of salt or alcohol. The molecular volume of IL (Vm), solvent-accessible surface (Sˆ), solvation enthalpy (DsolvGN), concentration of salt (Cs) or alcohol (Ca) and their molecular volumes (Vms and Vma, respectively) were chosen...
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Management of low-temperature heat source by ORC aided by additional heat source
PublikacjaThe presented work is aimed at utilisation of waste heat in the manner to produce electricity in ORC installation. Therefore the precondition of the study was to use the waste heat available in the form of a stream of hot water at 90°C. Such low enthalpy heat source is rather insufficient to produce a good quality vapour to feed the ORC turbine. That was the incentive to search for the ways of increasing the temperature of the...
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Exhaust gas temperature measurements in diagnostics of turbocharged marine internal combustion engines. Part I. Standard measurements.
PublikacjaThe article discusses the problem of diagnostic informativeness of exhaust gas temperature measurements in turbocharged marine internal combustion engines. Theoretical principles of the process of exhaust gas flow in turbocharger inlet channels are analysed in its dynamic and energetic aspects. Diagnostic parameters are defined which enable to formulate general evaluation of technical condition of the engine based on standard...
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Post-Pyrolytic Carbon as a Phase Change Materials (PCMs) Carrier for Application in Building Materials
PublikacjaThis 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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Expermental investigation on adsorption of methylene blue dye from waste water using corncob cellulose-based hydrogel
PublikacjaHydrogel from corncob cellulose was synthesized in this investigation. The synthesized Hydrogel was characterized by SEM, XRD, and FTIR instruments. As the results indicate the synthesized hydrogel has required and important features, these suggest the suitability of hydrogel for the adsorption of methylene blue dye (MBD). Three important process variables (dosage, contact time, and initial concentration) with three levels were...
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Solubility enhancement of metronidazole using natural deep eutectic solvents: Physicochemical and thermodynamic studies
PublikacjaThis research aimed to explore the utility of natural deep eutectic solvents (NADES) as the co-solvents for slightly water-soluble metronidazole (MNZ). After testing 70 wt% (percentage by weight) aqueous mixtures of seven NADESs, it was found that MNZ had the highest solubility in water solutions of NADES composed of choline chloride (ChCl) and citric acid (CA). The solubility of MNZ (expressed as 103 mol fraction) increased with...