Solvent effects on hydrogen bond formation

Enthalpies of solution have been used to calculate transfer enthalpies for phenol, pyridine, and DMSO between the solvent cyclohexane and the solvents CCl₄, benzene, and CHCl₃. By use of model compounds, enthalpies due to interactions with phenol, pyridine, and DMSO have been determined. These enthalpies are used to calculate the effect of solvation relative to cyclohexane on hydrogen bonded complexes in CCl₄ and benzene solvents. Correlations with enthalpies due to interactions and frequency shifts for the hydroxyl stretch in these solvents have also been made.     

高熵纳米合金在电化学催化中的应用

The implementation of clean energy techniques, including clean hydrogen generation, use of solar-driven photovoltaic hybrid systems, photochemical heat generation as well as thermoelectric conversion, is crucial for the sustainable development of our society. Among these promising techniques, electrocatalysis has received significant attention for its ability to facilitate clean energy conversion because it promotes a higher rate of reaction and efficiency for the associated chemical transformations. Noble-metal-based electrocatalysts typically show high activity for electrochemical conversion processes. However, their scarcity and high cost limit their applications in electrocatalytic devices. To overcome this limitation, binary catalysts prepared by alloying with transition metals can be used. However, optimization of the activity of the binary catalysts is considerably limited because of the presence of the miscibility gap in the phase diagram of binary alloys. The activity of binary electrocatalysts can be attributed to the adsorption energy of molecules and intermediates on the surface. High-entropy alloys (HEAs), which consist of diverse elements in a single NP, typically exhibit better physical and/or chemical properties than their single-element counterparts, because of their tunable composition and inherent surface complexity. Further, HEAs can improve the performance of binary electrocatalysts because they exhibit a near-continuous distribution of adsorption energy. Recently, HEAs have gained considerable attention for their application in electrocatalytic reactions. This review summarizes recent research advances in HEA nanostructures and their application in the field of electrocatalysis. First, we introduce the concept, structure, and four core effects of HEAs. We believe that this part will provide the basic information about HEAs. Next, we discuss the reported top-down and bottom-up synthesis strategies, emphasizing on the carbothermal shock method, nanodroplet-mediated electrodeposition, fast moving bed pyrolysis, polyol process, and dealloying. Other methods such as combinatorial co-sputtering, ultrashort-pulsed laser ablation, ultrasonication-assisted wet chemistry, and scanning-probe block copolymer lithography are also highlighted. Among these methods, wet chemistry has been reported to be effective for the formation of nano-scale HEAs because it facilitates the concurrent reduction of all metal precursors to form solid-solution alloys. Next, we present the theoretical investigation of HEA nanocatalysts, including their thermodynamics, kinetic stability, and adsorption energy tuning for optimizing their catalytic activity and selectivity. To elucidate the structure–property relationship in HEAs, we summarize the research progress related to electrocatalytic reactions promoted by HEA nanocatalysts, including the oxygen reduction reaction, oxygen evolution reaction, hydrogen evolution reaction, methanol oxidation reaction, and CO₂ reduction reaction. Finally, we discuss the challenges and various strategies toward the development of HEAs.     

A Crop Planning Problem with Fuzzy Random Profit Coefficients

The main purpose of this paper is to present a crop planning problem for agricultural management under uncertainty. It is significant that agricultural managers assign their limited farmlands to cultivation of which crops in a season. This planning is called the crop planning problem and influences their incomes for the season. Usually, the crop planning problem is formulated as a linear programming problem. But there are many uncertain factors in agricultural problems, so future profits for crops are not certain values. A linear programming model with constant profit coefficients may not reflect the environment of decision making properly. Therefore, we propose a model of crop planning with fuzzy profit coefficients, and an effective solution procedure for the model. Furthermore, we extend this fuzzy model, setting the profit coefficients as discrete randomized fuzzy numbers. We show concrete optimal solutions for each models.     

A superdense star model as charged analogue of Schwarzschild’s interior solution

A charged analogue of Schwarzschilds interior solution has been derived by considering the non-gravitational energy density to be constant along with a special choice of electric intensity. The charged fluid sphere so obtained is seen to be more general than that of P.S. Florides and joins smoothly with the Reissner-Nordström metric at the pressure-free interface. Also the new charged fluid sphere is capable of representing a superdense star with surface density of 2×10¹⁴ g cm^–3 which can occupy maximum mass 1.502408 times the solar mass. In the process of deriving the solution, the authors have also come across A. L. Mehras gaseous charged fluid model which is found to be unphysical as it has negative pressure at least at the center of the model.This revised version was published online in April 2005. The publishing date was inserted.     

Dark Multi-Soliton Solution of the Nonlinear Schrödinger Equation with Non-Vanishing Boundary

The inverse scattering transform for the nonlinear Schrödinger equation in normal dispersion with non-vanishing boundary values is re-examined using an affine parameter to avoid double-valued functions. An operable algebraic procedure is developed to evaluate dark multi-soliton solutions. The dark two-soliton solution is given explicitly as an example, and is verified by direct substitution. The additional motion of the soliton center is given by its asymptotic behavior.     

Oscillation spectra of seed NaCl crystals in aqueous solutions

Using the flicker-noise method (FNM), we investigated the oscillations of clusters in aqueous solutions of NaCl in the range of concentrations from 0.1 to 26.0 mass %. It has been established that in the solutions oscillators whose masses are similar to the masses of the models of aggregates of solvate clusters of ion pairs (SCIP) of salt with a different water content are present. In diluted solutions (<10%), the elementary SCIP has the form NaCl· 40H₂O. For the entire range of concentrations the SCIPs are given by structures based on the cubic system of the sodium chloride system. The base structure for them is a cube formed from 12 SCIPs of salt. The largest cluster revealed by the FNM method for all investigated concentrations of salt had a mass of ≈1.5 million D. The presence of NaCl in water leads to a collapse of its cluster structure, except for the smallest clusters (H₂O)_10…11, whose concentration increases with temperature or solution concentration. The distribution of SCIPs changes dramatically at a temperature above 300 K. The possible structures of SCIPs are given and the mechanism of their formation is discussed. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 72, No. 6, pp. 766–772, November–December, 2005.     

On a superlinear elliptic p-Laplacian equation

We prove the existence of four solutions for the p-Laplacian equation

     

A note on the fundamental solution for the Tricomi-type equation in the hyperbolic domain

Barros-Neto and Gelfand (Duke Math. J. 98 (3) (1999) 465; Duke Math. J. 117 (2) (2003) 561) constructed for the Tricomi operator on the plane the fundamental solutions with the supports in the regions related to the geometry of the characteristics of the Tricomi operator. We give for the Tricomi-type operator a fundamental solution relative to an arbitrary point of Rⁿ⁺¹ with the support in the region t?0, where the operator is hyperbolic. Our key observation is that the fundamental solution for the Tricomi-type operator can be written like an integral of the distributions generated by the fundamental solution of the Cauchy problem for the wave equation. The application of that fundamental solution to the L^p-L^q estimate for the forced Tricomi-type equation is given as well.     

Thermodynamic equilibrium of the solute distribution in size-exclusion chromatography

Our understanding of the nature of solute retention in size-exclusion chromatography (SEC) is predicated upon an equilibrium, entropy-controlled, size-exclusion mechanism. The entropic nature of the separation depends, in turn, upon the solute distribution coefficient (K(SEC) being at (or close to) thermodynamic equilibrium. Classic experiments to confirm this assumption were performed over thirty years ago. Here, we combine information obtained from both flow and static mixing SEC experiments to show that the solute distribution in SEC is in thermodynamic equilibrium over a molar mass range extending one order of magnitude higher than previously measured (from 2 x 10(3) to 1.1 x 10(6) Da) using crosslinked polystyrene packing material of identical pore size (10(4) A). The differences between our observations and previous ones conducted over three decades ago are ascribed, principally, to advances in stationary phase synthesis and column technology for SEC in particular and, secondarily, to improvements in the performance of the various instrumental components of liquid chromatographic systems in general.     

Thermodynamic Equilibrium in the System of Chaotic Quantized Vortices in a Weakly Imperfect Bose Gas

In the example of a weakly imperfect Bose gas, we discuss the mechanism of establishing thermodynamic equilibrium for a chaotic set of quantum vortex filaments. We assume that the dynamics of the Bose condensate is described by the Gross–Pitaevsky equation with an additional noise satisfying the fluctuation–dissipation theorem. In considering a vortex filament as the intersection line of surfaces on which the real and imaginary parts of the order parameter (x,t) vanish, we obtain an equation of the Langevin type for elements of the vortex filament with an appropriately transformed random force. The Fokker–Planck equation for the probability density has a solution given by the Gibbs distribution at the temperature of the Bose condensate. In other words, when the Bose condensate is in thermal equilibrium and no other random actions exist, the system of vortices is also in thermal equilibrium.