The aim of this work is preparation and investigation of copper conductive paths by printing with a different type of functional ink. The solutions based on copper-containing complex compounds were used as inks instead of dispersions of metal nanoparticles. Thermal characteristics of synthesized precursors were studied by thermogravimetry in an argon atmosphere. Based on the comparison of decomposition temperature, the dimethylamine complex of copper formate was found to be more suitable precursor for the formation of copper layers. Structure and performance of this compound was studied in detail by X-ray diffraction, test of wettability, printing on flexible substrate, and electrical measurements.
This work is aimed at studying the fundamentals ensuring the formation of high-quality functional printed copper layers at low temperatures. The paper describes the decomposition of copper formate and its ligand-based complexes: ammonia, ethylamine, diethylamine, and pyridine. Structural and thermal features of the samples were studied by differential thermal analysis, thermogravimetric analysis, and X-ray diffraction analysis. Based on the results of experimental data and quantum-chemical calculations as well, the main features of the reactions of decomposition of the studied samples have been proposed. Aspects of the main factors reducing the decomposition temperature of complex compounds have been identified and described. Based on the results of the study, a selfconsistent model which describes the limits of the existing models of the decomposition process of copper formate and its complex compounds is proposed in the work.
On exposure of high-voltage microsecond pulsed fields, the molten and solid electrolytes are transited into a prolonged non-equilibrium state with increased electrical conductivity and disappeared characteristic peaks in Raman spectra. During the multistep relaxation of non-equilibrium electrolytes the initial conductivity and Raman spectra are restored to the values and patterns characteristic for equilibrium system.
The electrical conductivity of molten sodium and potassium chloroaluminumates increase with increasing electrical field strength and reach the limiting values. The limiting high-voltage conductivities of the melts surpass their usual values up to 200% in NaAlCl4and 700% in KAlCl4. These results have been obtained on the base of analysis of the microsecond high-voltage discharges in the melts (the Wien effect). After the high-voltage pulses discharges having been completed in the melts, their conductivity has been found to rise up to 50% (the “memory effect”). The relaxation time of a non-equilibrium state reaches 5 minutes and more.
Abstract. The electrical conductivity of molten chloride electrolytes of the cerium subgroup lanthanides increases with rising electric field strength and strive to achieve the limiting high voltage values (Wien effect). On exposure of the high-voltage microsecond pulsed fields, the melts are transited into a prolonged non-equilibrium state with increased electrical conductivity and electrolyze current density. During the relaxation processes in non-equilibrium melts, increased electrical conductivity tends to restore the values that are specific to equilibrium systems.
IntroductionIn various modern industries there is an increasingly widespread use of rare earth metals (REM). In an industrial scale mainly REM alloys and relatively pure lanthanum, cerium and neodymium are produced. REM and their alloys are advantageously prepared by electrolysis of anhydrous molten chloride mixtures Ln-MCl (Ln = REM and M = Na, K). The structures of the molten electrolytes, as well as the nature and distribution their structural species, determine their observed physicochemical properties, the mechanisms and kinetic pathways that decrease energetic efficiency of metals production technologies [1]. For better understanding the structure of equilibrium molten electrolytes and improving the chemical and electrochemical technologies, their properties should be studied in a non-equilibrium state, which can be achieved by various external influences, for example, by the action of strong electric pulses [2]. We have found that electrical conductivity of molten alkaline-earth chlorides and their mixtures with alkaline chlorides increase with increasing external electric field strength (EFS) and strive to achieve the limiting high-voltage values in the fields of the order of 1 MV/m [3], in the same way as in the Wien effect in the aqueous electrolyte solutions.After the high-voltage pulsed discharges in the electrolytes having been completed, their low voltage conductivity (measured by usual AC Bridge) turns out to be increased [4] i.e., in them the phenomenon of activation (the "memory effect") is observed. The activation degree of electrical conductivity reaches up to 20 % in the case of individual alkali earth metals chlorides and to 55 % in the case of their mixtures with potassium chloride. These observations were interpreted as a consequence of the stimulated dissociation of complex formations. The activation of the melts is followed by the recombination of complex ions during prolonged relaxation processes in the nonequilibrium melts.
Higher lipophilicity facilitates the passage of a substance across lipid cell membranes, the blood–brain barrier and protein binding, and may also indicate its toxicity. We proposed eight methods for predicting the lipophilicity of the 22 most commonly used organophosphate pesticides. In this work, to determine the lipophilicity and thermodynamic parameters of the solvation of pesticides, we used methods of density functional theory with various basis sets, as well as modern Grimm methods. The prediction models were evaluated and compared against eight performance statistics, as well as time and RAM used in the calculation. The results show that the PBE-SVP method provided the best of the proposed predictive capabilities. In addition, this method consumes relatively less CPU and RAM resources. These methods make it possible to reliably predict the ability of pesticide molecules to penetrate cell membranes and have a negative effect on cells and the organism as a whole.
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