Stability of ion triplets in ionic liquid/lithium salt solutions: Insights from implicit and explicit solvent models and molecular dynamics simulations

Binding energies of ion triplets formed in ionic liquids by Li⁺ with two anions have been studied using quantum‐chemical calculations with implicit and explicit solvent supplemented by molecular dynamics (MD) simulations. Explicit solvent approach confirms variation of solute‐ionic liquid interactions at distances up to 2 nm, resulting from structure of solvation shells induced by electric field of the solute. Binding energies computed in explicit solvent and from the polarizable continuum model approach differ largely, even in sign, but relative values generally agree between these two models. Stabilities of ion triplets obtained in quantum‐chemical calculations for some systems disagree with MD results; the discrepancy is attributed to the difference between static optimized geometries used in quantum chemical modeling and dynamic structures of triplets in MD simulations. © 2015 Wiley Periodicals, Inc.     

Charged AdS black holes with finite electrodynamics in 4D Einstein-Gauss-Bonnet gravity

Using a modified expression for the electric potential in the context of T-duality [Gaete and Nicolini, Phys. Lett. B, 2022], we obtained an exact charged solution within the 4D Einstein-Gauss-Bonnet (4D EGB) theory of gravity in the presence of a cosmological constant. We show that the solution also exists in the regularized 4D EGB theory. Moreover, we point out a correspondence between the black hole solution in the 4D EGB theory and the solution in the non-relativistic Horava–Lifshitz theory. The black hole solution is regular and free from singularity. As a special case, we derive a class of well known solutions in the literature.     

“三端合一”显隐结合的无机化学课程思政方法*

基于本校无机化学的课程特色,拟定课程思政目标,将思政元素与教学内容对应。在无机化学课程的资源端(MOOC平台)、教学端(超星学习通)、服务端(微信公众号)等均融入思政元素,创新教学方法,构建“三端合一”显隐结合的课程思政方法,为其他专业课的课程思政提供参考。     

Analytical Modelling of Electron-coupled Ion Transfers with Immobilized vs Soluble Redox Transducer at Thick Film-modified Electrodes

Analytical theoretical solutions are deduced for the current-potential response, concentration profiles and interfacial potentials of electron-coupled ion transfers in the cyclic voltammetry with thick film-modified electrodes. The theory covers a wide variety of possible situations, namely, the redox transducer can be either immobilized on the working electrode or freely diffusing in the organic film, and the ion transfer can be either simple or complicated by homogeneous chemical processes. A comparative and comprehensive study of each case is performed, establishing the key parameters that define the behaviour of the system, as well as guidelines to analyse its electrochemical signal.     

Spherically Symmetric Solvent is Sufficient to Explain the LCST Mechanism in Polymer Solutions

The mechanism of the lower critical solution temperature (LCST) in thermoresponsive polymer solutions has been studied by means of a coarse‐grained single polymer chain simulation and a theoretical approach. The simulation model includes solvent explicitly and thus accounts for solvent interactions and entropy directly. The theoretical model consists of a single chain polymer in an implicit solvent where the effect of solvent is included through the intrapolymer solvophobic potential proposed by Kolomeisky and Widom. The results of this study indicate that the LCST behavior is determined by the competition between the mean energy difference between the bulk and bound solvent, and the entropy loss due to the bound solvent. At low temperatures, solvent molecules are bound to the polymer and the solvophobicity of the polymer is screened, resulting in a coiled state. At high temperatures the entropy loss due to bound solvent offsets the energy gain due to binding which causes the solvent molecules to unbind, leading to the collapse of the polymer chain to a globular state. Furthermore, the coarse‐grained nature of these models indicates that mean interaction energies are sufficient to explain LCST in comparison to specific solvent structural arrangements.

     

一类1 < α < 2非局部条件下的脉冲分数阶微分方程mild解的存在性

本文研究了一类1 < α < 2非局部条件下的脉冲分数阶偏微分方程mild解的存在性问题.利用解算子的相关性质及Krasnoselskii不动点理论的方法,获得了这类方程的mild解并予以证明,且得到了解的存在性结果.     

Time Discrete Approximation of Weak Solutions to Stochastic Equations of Geophysical Fluid Dynamics and Applications

As a first step towards the numerical analysis of the stochastic primitive equations of the atmosphere and the oceans,the time discretization of these equations by an implicit Euler scheme is studied.From the deterministic point of view,the 3D primitive equations are studied in their full form on a general domain and with physically realistic boundary conditions.From the probabilistic viewpoint,this paper deals with a wide class of nonlinear,state dependent,white noise forcings which may be interpreted in either the It6 or the Stratonovich sense.The proof of convergence of the Euler scheme,which is carried out within an abstract framework,covers the equations for the oceans,the atmosphere,the coupled oceanic-atmospheric system as well as other related geophysical equations.The authors obtain the existence of solutions which are weak in both the PDE and probabilistic sense,a result which is new by itself to the best of our knowledge.     

Singular Solutions to Conformal Hessian Equations

The authors show that for any e ∈]0,1[,there exists an analytic outside zero solution to a uniformly elliptic conformal Hessian equation in a ball B C R5 which belongs to C1'ε(B) \ C1'ε+(B).     

MBIUS-TODA HIERARCHY AND ITS INTEGRABILITY

In this paper, we construct a new integrable equation called Mbius-Toda equation which is a generalization of q-Toda equation. Meanwhile its soliton solutions are constructed to show its integrable property. Further the Lax pairs of the Mbius-Toda equation and a whole integrable Mbius-Toda hierarchy are also constructed. To show the integrability, the bi-Hamiltonian structure and tau symmetry of the Mbius-Toda hierarchy are given and this leads to the existence of the tau function.     

Nonlocal transmission problems with fractional diffusion and boundary conditions on non-smooth interfaces

We consider a transmission problem consisting of two semilinear parabolic equations involving fractional diffusion operators of different orders in a general non-smooth setting with emphasis on Lipschitz interfaces and transmission conditions along the interface. We give a unified framework for the existence and uniqueness of strong and mild solutions, and their global regularity properties.