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91.
Gustavo A.Carri 《高分子科学》2015,33(4):523-539
We revisit the Simha-Somcynsky model of polymer fluids with the purpose of developing novel theoretical and computational approaches to simplify and speed up its solution as well as the fitting of experimental data, and decrease its level of mathematical complexity. We report a novel method that allows us to solve one of the two equations of the model exactly, thus putting the level of mathematical difficulty on a par with the one of other models for polymer fluids. Moreover, we describe a computational algorithm capable of fitting all five parameters of the model in an unbiased way. The results obtained reproduce literature results and fit experimental pressure-volume-temperature and solubility parameter data for three polymers very accurately. Moreover, the new techniques allow for the investigation of the model at very low temperatures. Unexpectedly, the model predicts behaviors that could be interpreted as a glass transition, as routinely observed in dilatometry and differential scanning calorimetry, and a glass phase. We compared the predicted and experimental T g’s for cis poly(1,4-butadiene) and found an excellent quantitative agreement. 相似文献
92.
Bo Xiang Yanli Qi Shichao Wang 《International Journal of Polymer Analysis and Characterization》2015,20(6):529-540
A number of cool materials have been designed and used in hot weather to minimize the heat coming from sunlight. Traditionally, solar reflectance and infrared emittance were measured to characterize the cooling properties of cool materials. However, these methods could represent the cooling property only indirectly. In this work, a sandwich structure device that can straightforwardly measure the cooling properties of cool materials was designed. Two cool materials, including high-density polyethylene (HDPE) and polyvinyl chloride (PVC), were selected to verify the device. For the purpose of comparison, UV-vis-NIR spectral characterization was also used to evaluate the cooling properties of the selected materials. The results, especially for the HDPE/Green 260 composite sample, which presents much lower solar reflectance but better cooling property, indicated that the cooling properties cannot be entirely represented by only the reflectance or transmittance, and the sandwich structure device was able to make up for this deficiency. 相似文献
93.
Supramolecular Recognition Influences Magnetism in [X@HVIV8VV14O54]6− Self‐Assemblies with Symmetry‐Breaking Guest Anions 下载免费PDF全文
Dr. Kirill Yu. Monakhov Oliver Linnenberg Dr. Piotr Kozłowski Dr. Jan van Leusen Dr. Claire Besson Tim Secker Dr. Arkady Ellern Dr. Xavier López Prof. Dr. Josep M. Poblet Prof. Dr. Paul Kögerler 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(6):2387-2397
Mixed‐valence polyoxovanadates(IV/V) have emerged as one of the most intricate class of supramolecular all‐inorganic host species, able to encapsulate a wide variety of smaller guest templates during their self‐assembly formation process. As showcased herein, the incorporation of guests, though governed solely by ultra‐weak electrostatic and van der Waals interactions, can cause drastic effects on the electronic and magnetic characteristics of the shell complex of the polyoxovanadate. We address the question of methodology for the magnetochemical analysis of virtually isostructural {VIV/V22O54}‐type polyoxoanions of D2d symmetry enclosing diamagnetic VO2F2? (C2v), SCN? (C∞v), or ClO4? (Td) template anions. These induce different polarization effects related to differences in their geometric structures, symmetry, ion radii, and valence shells, eventually resulting in a supramolecular modulation of magnetic exchange between the V(3d) electrons that are partly delocalized over the {V22O54} shells. We also include the synthesis and characterization of the novel [VVO2F2@HVIV8VV14O54]6? system that comprises the rarely encountered discrete difluorovanadate anion as a quasi‐isolated guest species. 相似文献
94.
Durgesh Dubey Smriti Chaurasia Anupam Guleria Sandeep Kumar Dinesh Raj Modi Ramnath Misra Dinesh Kumar 《Magnetic resonance in chemistry : MRC》2019,57(1):30-43
Currently, there are no reliable biomarkers available that can aid early differential diagnosis of reactive arthritis (ReA) from other inflammatory joint diseases. Metabolic profiling of synovial fluid (SF)—obtained from joints affected in ReA—holds great promise in this regard and will further aid monitoring treatment and improving our understanding about disease mechanism. As a first step in this direction, we report here the metabolite specific assignment of 1H and 13C resonances detected in the NMR spectra of SF samples extracted from human patients with established ReA. The metabolite characterization has been carried out on both normal and ultrafiltered (deproteinized) SF samples of eight ReA patients (n = 8) using high-resolution (800 MHz) 1H and 1H─13C NMR spectroscopy methods such as one-dimensional 1H CPMG and two-dimensional J-resolved1H NMR and homonuclear 1H─1H TOCSY and heteronuclear1H─13C HSQC correlation spectra. Compared with normal SF samples, several distinctive 1H NMR signals were identified and assigned to metabolites in the 1H NMR spectra of ultrafiltered SF samples. Overall, we assigned 53 metabolites in normal filtered SF and 64 metabolites in filtered pooled SF sample compared with nonfiltered SF samples for which only 48 metabolites (including lipid/membrane metabolites as well) have been identified. The established NMR characterization of SF metabolites will serve to guide future metabolomics studies aiming to identify/evaluate the SF-based metabolic biomarkers of diagnostic/prognostic potential or seeking biochemical insights into disease mechanisms in a clinical perspective. 相似文献
95.
Xuejiao Hu Tiancheng Li Yidan Tang Yirong Wang Dr. Ao Wang Dr. Gengtao Fu Prof. Xiaodong Li Prof. Yawen Tang 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(31):7561-7568
The development of high-efficiency electrocatalysts with low costs for the oxygen evolution reaction (OER) is essential, but remains challenging. Herein, a new synthetic process is proposed to prepare Ni3S4 particles embedded in N,P-codoped honeycomb porous carbon aerogels (Ni3S4/N,P-HPC) through a hydrogel approach. The preparation of Ni3S4/N,P-HPC begins with the sol–gel polymerization of tripolyphosphate, chitosan, and guanidine polymer that contains metal-binding sites, allowing for the uniform incorporation of Ni ions into the gel matrix, freeze-drying, and subsequent carbonization under an inert atmosphere. This synthesis resolves difficulties in synthesizing the pure Ni3S4 phase caused by the instability of Ni3S4 at high temperature, while affording good control of the porous structure and N,P-doping of carbon aerogels. The synergy between the structural advantages of N,P-carbon aerogels (such as easily accessible active sites, high specific surface area, and excellent electron transport) and the intrinsic electrochemical properties of Ni3S4 result in the outstanding OER performance of Ni3S4/N,P-HPC, with overpotentials as low as 0.37 V at 10 mA cm−2. The work outlined herein offers a simple and effective method for the development of carbon-based electrocatalysts for renewable energy conversion. 相似文献
96.
Miguel Ballesteros Dirk-André Deckert Felix Hänle 《Journal of Functional Analysis》2019,276(8):2524-2581
We extend the method of Pizzo multiscale analysis for resonances introduced in [5] in order to infer analytic properties of resonances and eigenvalues (and their eigenprojections) as well as estimates for the localization of the spectrum of dilated Hamiltonians and norm-bounds for the corresponding resolvent operators, in neighborhoods of resonances and eigenvalues. We apply our method to the massless Spin–Boson model assuming a slight infrared regularization. We prove that the resonance and the ground-state eigenvalue (and their eigenprojections) are analytic with respect to the dilation parameter and the coupling constant. Moreover, we prove that the spectrum of the dilated Spin–Boson Hamiltonian in the neighborhood of the resonance and the ground-state eigenvalue is localized in two cones in the complex plane with vertices at the location of the resonance and the ground-state eigenvalue, respectively. Additionally, we provide norm-estimates for the resolvent of the dilated Spin–Boson Hamiltonian near the resonance and the ground-state eigenvalue. The topic of analyticity of eigenvalues and resonances has let to several studies and advances in the past. However, to the best of our knowledge, this is the first time that it is addressed from the perspective of Pizzo multiscale analysis. Once the multiscale analysis is set up our method gives easy access to analyticity: Essentially, it amounts to proving it for isolated eigenvalues only and use that uniform limits of analytic functions are analytic. The type of spectral and resolvent estimates that we prove are needed to control the time evolution including the scattering regime. The latter will be demonstrated in a forthcoming publication. The introduced multiscale method to study spectral and resolvent estimates follows its own inductive scheme and is independent (and different) from the method we apply to construct resonances. 相似文献
97.
Elastic scattering angular distributions and total reaction cross-sections of ~(7,10,11,12)Be projectiles are predicted by the systematic ~9 Be global phenomenological optical model potential for target mass numbers ranging from24 to 209. These predictions provide a detailed analysis by their comparison with the available experimental data.Furthermore, these elastic scattering observables are also predicted for some targets out of the mass number range.The results are in reasonable agreement with the existing experimental data, and they are presented in this study. 相似文献
98.
《Physics letters. A》2019,383(23):2784-2788
By modifying the conventional one-electron hopping behavior, we study effects of an occupation-dependent hopping on the ground state of the half-filled one-dimensional pair-hopping model. At weak coupling, the use of bosonization and renormalization-group analysis techniques helps to derive the phase diagram. Such unusual hopping is shown to drive a spin-gap transition and to introduce a new region where the triplet superconducting instability dominates for positively small pair-hopping interaction. 相似文献
99.
Alessandro Morando Paola Trebeschi Tao Wang 《Journal of Differential Equations》2019,266(9):5397-5430
We show the short-time existence and nonlinear stability of vortex sheets for the nonisentropic compressible Euler equations in two spatial dimensions, based on the weakly linear stability result of Morando and Trebeschi (2008) [20]. The missing normal derivatives are compensated through the equations of the linearized vorticity and entropy when deriving higher-order energy estimates. The proof of the resolution for this nonlinear problem follows from certain a priori tame estimates on the effective linear problem in the usual Sobolev spaces and a suitable Nash–Moser iteration scheme. 相似文献
100.
Prof. Olaf M. Magnussen 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(56):12865-12883
Atomic-scale processes at electrode surfaces in liquid electrolytes are central elemental steps of electrochemical reactions. Detailed insights into the structure of these interfaces can be obtained with in situ scanning tunnelling and atomic force microscopy. By increasing the time resolution of these methods into the millisecond range, highly dynamic processes at electrode surfaces become directly observable. This review gives an overview of in situ studies with video-rate scanning probe microscopy techniques. Firstly, quantitative investigations into the dynamic behaviour of individual adsorbed atoms and molecules are described. These reveal a complex dependence of adsorbate surface diffusion on potential and co-adsorbed species and provide data on adsorbate–adsorbate and adsorbate–substrate interactions in a liquid environment. Secondly, results on collective dynamic phenomena are discussed, such as molecular self-assembly, the dynamics of nanoscale structures, nucleation and growth, and surface restructuring due to phase-formation processes. 相似文献