Toward understanding the Hofmeister series. 3. Effects of sodium halides on the molecular organization of H2O as probed by 1-propanol

We investigated the effects of NaF, NaCl, NaBr, and NaI on the molecular organization of H2O by a calorimetric methodology developed by us earlier. We use the third derivative quantities of G pertaining to 1-propanol (1P) in ternary 1P-a salt-H2O as a probe to elucidate the effects of a salt on H2O. We found that NaF and NaCl worked as hydration centers. The hydration numbers were 19 +/- 2 for NaF and 7.5 +/- 0.6 for NaCl. Furthermore, the bulk H2O away from the hydration shell was found unaffected by the presence of Na+, F-, and Cl-. For NaBr and NaI, in addition to the hydration to Na+, Br- and I- acted like a hydrophilic moiety such as urea. Namely, they formed a hydrogen bond to the existing H2O network and retarded the fluctuation nature of H2O. These findings were discussed with respect to the Hofmeister ranking. We suggested that more chaotropic anions Br- and I- are characterized as hydrophiles, whereas kosmotropes, F- and Cl-, are hydration centers.     

New interpolation technique for the CIP method on curvilinear coordinates

We propose a new interpolation technique for the CIP method applied to curvilinear coordinates. The CIP method can hardly maintain third-order accuracy on curvilinear coordinates. The reason for the degeneracy in accuracies has not been discussed in detail. This paper reveals the problems of the CIP method on curvilinear coordinates and presents an improved CIP method to solve the advection equation accurately. The features of the presented method are: (1) the metric computation on the upwind stencil is defined in the same manner as in the advection phase of the CIP method; and (2) gradient values in the physical domain in the computation on the curvilinear coordinates are used. Various test problems show that the improved CIP method has approximate third-order accuracy.     

Effects of pressure and temperature on the solubility of monosodium L-glutamate monohydrate in water

Abstract

The solubility of monosodium L-glutamate monohydrate (MSG.H₂O) in water was measured at pressures in the range of 0.10-300MPa and 298.15K. The density of MSG solution at high concentrations and heat of solution at saturated concentration were also measured at atmospheric pressure. The solubility, m_s, increased with increasing pressure and the pressure coefficient, Θ_p, [?(? In m_s,? p)_T] at 0.10 MPa was (2.0 ± 0.1) × 10-¹⁰Pa-1. It agrees well with (2.1 ±0.2)× 10-¹⁰ Pa-¹ thermodynamically estimated using the partial molar volume, the activity coefficient of the solute in solution, and the molar volume of the crystal. The excellent agreement at 0.10MPa gives us confidence in the solubility data at higher pressures. The heat of solution data and other pertinent values were used to calculate the temperature coefficient of solubility, Θ_T [? (? In m_s/?(1/T))_p], by a thermodynamic equality. The resulting Θ_T compares well with the data directly measured by Ogawa.     

Semi-tilting Modules and Mutation

We introduce the notion of semi-tilting modules and show that the class of basic semi-tilting modules is closed under mutation. Using this, we provide a partial answer to the Wakamatsu tilting conjecture. Also, we define a partial order on the set of equivalence classes of semi-tilting modules and show that this order is closely related to mutation for semi-tilting modules.     

Controlling the generation of high frequency electromagnetic pulses with relativistic flying mirrors using an inhomogeneous plasma

A method for the controlled generation of intense high frequency electromagnetic fields by a breaking Langmuir wave (relativistic flying mirrors) in a gradually inhomogeneous plasma is proposed. The wave breaking threshold depends on the local plasma density gradient. Compression, chirping and frequency multiplication of an electromagnetic wave reflected from relativistic mirrors is demonstrated using Particle-In-Cell simulations. Adjusting the shape of the density profile enables control of the reflected light properties.     

On Partial Tilting Complexes

Let R be a commutative noetherian ring and A a noetherian R-algebra. Let P ^? ∈ 𝒦^b(𝒫 _A ) with Hom_𝒦(Mod-A)(P ^?, P ^?[i]) = 0 for i > 0. We will provide a sufficient condition for P ^? to be a direct summand of a silting complex. Also, in case Hom_𝒦(Mod-A)(P ^?, P ^?[i]) = 0 for i ≠ 0, we will provide a sufficient condition for P ^? to be a direct summand of a tilting complex.     

Atomistic chemical computation of Olefin polymerization reaction catalyzed by (pyridylamido)hafnium(IV) complex: Application of Red Moon simulation

We have realized the microscopic simulation of olefin polymerization, that is, the simulation of the catalytic polymerization (CP) reaction system composed of (pyridylamido)hafnium(IV) complex as the catalyst. For this purpose, we adopted Red Moon (RM) method, a novel molecular simulation method to simulate the complex reaction system. First, according to the previous research, with the help of the QM calculation, we proposed a model system and elementary processes and explained the theoretical treatment of the simulation by the RM method (the RM simulation). In addition, we also proposed a macroscopic simulation based on chemical kinetics simulation. Then, we performed two simulations and compared them in terms of the effective time evolution of the three macroscopic physical quantities, the number-average molecular weight M_n , the mass-average molecular weight M_w , and the molar-mass dispersity Đ_M . The comparison showed that the two simulations are in quantitative or partially qualitative agreement with each other. Therefore, it is concluded that the RM simulation could not only simulate the CP reaction process microscopically, but also it is connected essentially to reproduce the time evolution of the macroscopic physical quantities on the basis of its microscopic simulation data. © 2018 Wiley Periodicals, Inc.     

Comparative study on the thermal behavior of structural concretes of sodium-cooled fast reactor

Journal of Thermal Analysis and Calorimetry - Thermal behaviors of two different siliceous concretes used in a sodium-cooled fast reactor were comparatively investigated in a temperature range from...     

Physico-geometric kinetics of solid-state reactions by thermal analyses

The physico-geometric kinetics for the solid-state reactions by thermoanalytical (TA) measurements were reexamined by focusing some fundamental aspects: (1) the fundamental kinetic equation, (2) the kinetic model function, (3) the fractional reaction , and (4) the apparent kinetic parameters. It was pointed out that some pitfalls in the practical kinetic study are originated by the disagreement between the kinetic information from the TA measurements and the theory of the physico-geometric kinetics. In order to increase the degree of coordination between the theory and practice, several attempts were made from both the theoretical and experimental points of views. The significance of the apparent kinetic parameters was discussed with a possible orientation for obtaining the reliable kinetic parameters.I would like to thank to Profs H. Tanaka, J. esták, J. M. Criado, A. K. Galwey and Dr. J. Malek for their kind supports.