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21.
Akerke Shakirbay Jeong Sik Choi Dong Chul Kim Hyo Soon Shin Dong Hun Yeo Joon Hyung Lee 《Magnetic resonance in chemistry : MRC》2022,60(9):877-883
In this paper, we evaluated the particle dispersion degree of alumina slurry containing a dispersant by solvent nuclear magnetic resonance (NMR) relaxation and compared it with conventional dispersion evaluation methods such as viscosity, particle size, and sedimentation height measurements. The dispersion of slurry was evaluated via numerical analysis of the transverse relaxation time (T2). The effect of the changes in different parameters of the experiment in terms of milling time, solid loading, and dispersant amount was investigated by NMR relaxation as well as conventional methods. The results of NMR relaxation measurements revealed that T2 correlates well with other dispersion evaluation methods; thus, it is an efficient technique to evaluate the dispersion of alumina slurry, specifically, when studying the effect of the change in milling time and dispersion amount. 相似文献
22.
Vladimir I. Bakhmutov Aida Contreras-Ramirez Hannah Drake Hong-Cai Zhou 《Magnetic resonance in chemistry : MRC》2022,60(6):541-553
Solid-state NMR experiments on 2H, 31P, 13C, and 1H nuclei, including 31P T1, 1H T1, and 1H T1ρ measurements, as well as on the kinetics of proton-phosphorus cross-polarization have been performed to characterize the crystalline and amorphous α-zirconium phosphates, which were intercalated with D2O and/or CD3OD. The 13C{1H} CP MAS NMR experiment performed for compound 1-CD 3 OD (Zr (HPO4)2 . 0.2CD3OD) with carbon cross-polarization via protons of phosphate groups has provided a prove that the methanol was intercalated into the interlayer spaces of this compound. The variable-temperature 2H solid-echo MAS NMR spectra of intercalated compounds demonstrated that the methanol molecules, in contrast to the mobile water, were immobile, keeping, however, free CD3 rotations around the C3-axis. It has been demonstrated that the intercalated species, D2O and CD3OD, do not affect the high-frequency motions of the phosphate groups. By utilizing local structural models that satisfy the constraints of the experimental data, it has been suggested that the immobile methanol molecules are located in the cavity between two neighboring layers of the zirconium phosphates. Thus, the present work illustrates the reliable criteria in a comprehensive NMR approach to structural and dynamic studies of such systems. 相似文献
23.
Bulk and shear rheological studies were performed on a 10 wt % silica nanoparticle‐filled polystyrene nanocomposite. The limiting moduli in glassy and rubbery states are higher for the nanocomposite than for the neat polymer; the increase is consistent with hydrodynamic reinforcement and is slightly higher than the lower bound of the rule of mixtures prediction. All evidence indicates that the presence of nanoparticles does not significantly change the polymer dynamics associated with glass transition, except to increase the Tg by 3 K. Comparison of the bulk and shear retardation spectra suggests that the underlying mechanisms for both responses are similar at short times and that the long‐time chain modes available to the shear are not available to the bulk, consistent with Plazek's earlier findings. In addition, T ? Tg and TVγ scaling, along with the findings of thermorheological complexity, are discussed. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2015 , 53, 621–632 相似文献
24.
Molecular dynamic study of dielectric polarization and ferroelectricity in a model polar polymer 下载免费PDF全文
Jeffrey P. Calame 《Journal of Polymer Science.Polymer Physics》2015,53(10):740-759
Molecular dynamics simulations are used to explore the polarization response of a lamellar crystal consisting of folded chains of a highly simplified model polar polymer. The system is based on a united atom model of polyethylene with constrained bond lengths and bond angles, and it is endowed with artificial partial charges placed on the united atoms to give it a simple polar character. Simulations performed with various temperatures, electric field directions, and electric field application histories reveal a complicated sequence of reorientation processes, including pronounced ferroelectric behavior. The sequence includes a weak, temperature‐independent prompt response, and a slow‐rising delay regime with stretched exponential behavior and thermally‐activated reorientation parameters consistent with trans‐gauche (TG) barrier crossings in the amorphous phase. When the delay regime has progressed sufficiently, a primary large‐amplitude response due to organized rotation of large subsegments in the crystalline phase occurs in a rapid manner that requires relatively few TG barrier crossings. A final, extremely slow rise in residual polarization completes the sequence. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2015 , 53, 740–759 相似文献
25.
Eva Lucaccini Matteo Briganti Dr. Mauro Perfetti Dr. Laure Vendier Dr. Jean‐Pierre Costes Dr. Federico Totti Prof. Dr. Roberta Sessoli Prof. Dr. Lorenzo Sorace 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(16):5552-5562
The magnetic behaviour of a Dy(LH)3 complex (LH? is the anion of 2‐hydroxy‐N′‐[(E)‐(2‐hydroxy‐3‐methoxyphenyl)methylidene]benzhydrazide) was analysed in depth from both theoretical and experimental points of view. Cantilever torque magnetometry indicated that the complex has Ising‐type anisotropy, and provided two possible directions for the easy axis of anisotropy due to the presence of two magnetically non‐equivalent molecules in the crystal. Ab initio calculations confirmed the strong Ising‐type anisotropy and disentangled the two possible orientations. The computed results obtained by using ab initio calculations were then used to rationalise the composite dynamic behaviour observed for both pure DyIII phase and YIII diluted phase, which showed two different relaxation channels in zero and non‐zero static magnetic fields. In particular, we showed that the relaxation behaviour at the higher temperature range can be correctly reproduced by using a master matrix approach, which suggests that Orbach relaxation is occurring through a second excited doublet. 相似文献
26.
27.
In this paper, we introduced a summation‐integral type modification of Szász–Mirakjan operators. Calculation of moments, density in some space, a direct result and a Voronvskaja‐type result, are obtained. Copyright © 2016 John Wiley & Sons, Ltd. 相似文献
28.
S. A. Mohiuddine Tuncer Acar Abdullah Alotaibi 《Mathematical Methods in the Applied Sciences》2017,40(18):7749-7759
In the present paper, we construct a new sequence of Bernstein‐Kantorovich operators depending on a parameter α. The uniform convergence of the operators and rate of convergence in local and global sense in terms of first‐ and second‐order modulus of continuity are studied. Some graphs and numerical results presenting the advantages of our construction are obtained. The last section is devoted to bivariate generalization of Bernstein‐Kantorovich operators and their approximation behaviors. 相似文献
29.
Hassan Khosravian‐Arab Mehdi Dehghan M. R. Eslahchi 《Mathematical Methods in the Applied Sciences》2017,40(18):6389-6410
This paper presents 2 new classes of the Bessel functions on a compact domain [0,T] as generalized‐tempered Bessel functions of the first‐ and second‐kind which are denoted by GTBFs‐1 and GTBFs‐2. Two special cases corresponding to the GTBFs‐1 and GTBFs‐2 are considered. We first prove that these functions are as the solutions of 2 linear differential operators and then show that these operators are self‐adjoint on suitable domains. Some interesting properties of these sets of functions such as orthogonality, completeness, fractional derivatives and integrals, recursive relations, asymptotic formulas, and so on are proved in detail. Finally, these functions are performed to approximate some functions and also to solve 3 practical differential equations of fractionalorders. 相似文献
30.
Ruchi Ruchi Nurhayat Ispir P. N. Agrawal 《Mathematical Methods in the Applied Sciences》2017,40(16):5687-5706
Ren and Zeng (2013) introduced a new kind of q‐Bernstein–Schurer operators and studied some approximation properties. Acu et al. (2016) defined the Durrmeyer modification of these operators and studied the rate of convergence and statistical approximation. The purpose of this paper is to introduce a Kantorovich modification of these operators by using q‐Riemann integral and investigate the rate of convergence by means of the Lipschitz class and the Peetre's K‐functional. Next, we introduce the bivariate case of q‐Bernstein–Schurer–Kantorovich operators and study the degree of approximation with the aid of the partial modulus continuity, Lipschitz space, and the Peetre's K‐functional. Finally, we define the generalized Boolean sum operators of the q‐Bernstein–Schurer–Kantorovich type and investigate the approximation of the Bögel continuous and Bögel differentiable functions by using the mixed modulus of smoothness. Furthermore, we illustrate the convergence of the operators considered in the paper for the univariate case and the associated generalized Boolean sum operators to certain functions by means of graphics using Maple algorithms. Copyright © 2017 John Wiley & Sons, Ltd. 相似文献