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2,291 Newest Publications about the topic solution

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A New Insight into the Isotropic - Nematic Phase Transition in Lyotropic Solutions of Semiflexible Polymers: Density-Functional Theory Tested by Molecular Dynamics

04-May-2016 | Sergei Egorov; Andrey Ivanov Milchev; Peter Virnau; Kurt Binder, Soft Matter, 2016

Semiflexible polymers in solution are studied for a wide range of both contour length $L$ and persistence length $\ell_p$ as function of monomer concentration under good solvent conditions. Both density-functional theory (DFT) and Molecular Dynamics (MD) simulation methods are used, and very good ...


A study on corrosion and deactivation mechanism of Pt/Nb anodes in sodium chlorate containing solution using EIS

02-May-2016 | Author(s): M. Noori, K. Jafarzadeh, A. Kashi, G.H. Shirafkan, Journal of Electroanalytical Chemistry, 2016

Publication date: 1 July 2016 Source:Journal of Electroanalytical Chemistry, Volume 772 Author(s): M. Noori, K. Jafarzadeh, A. Kashi, G.H. Shirafkan Due to their high price, the corrosion resistance and lifetime of Pt/Nb anodes, which are usually manufactured through an ...


Iron oxide nanotube film formed on carbon steel for photoelectrochemical water splitting: effect of annealing temperature

29-Apr-2016 | Hongda Deng, Mao‐Chia Huang, Wei‐Heng Weng, Jing‐Chie Lin, Surface and Interface Analysis, 2016

Carbon steels (CSs) were anodized in an ethylene glycol solution containing 3 vol.% H2O and 0.1 m NH4F to coat with nanotube arrays film. The as anodized nanotube arrays film were annealed in argon atmosphere at various temperatures ranging from 250 to 550 °C for 4 h. The morphology and crystal ...


Molecular packing of poly vinyl alcohol in PVA‐gold nanoparticles composites and its role on thermo‐mechanical properties

29-Apr-2016 | P. V. Gaikwad, S. K. Sharma, K. Sudarshan, V. Kumar, A. Kshirsagar, P. K. Pujari, Polymer Composites, 2016

Confinement of polymer chains in polymer nanocomposites influences their dynamics leading to the changes in their molecular packing compared to pure polymer. In order to study the exclusive effects of confinement on molecular packing of poly vinyl alcohol (PVA) chains, PVA nanocomposite films ...


Engineered molecular chain ordering in SWNTs/PANI composite films for high‐performance organic thermoelectric materials

28-Apr-2016 | Liming Wang, Qin Yao, Juanxiu Xiao, Kaiyang Zeng, Sanyin Qu, Wei Shi, Qun Wang, Lidong Chen, Chemistry - An Asian Journal, 2016

Single‐walled carbon nanotubes (SWNTs)/polyaniline (PANI) composite films with enhanced thermoelectric (TE) properties were prepared by combining in‐situ polymerization and solution process. Conductive atomic force microscopy (C‐AFM) and XRD measurements confirmed that solution process and ...


Amphiphilic Graft Copolymers as a Versatile Binder for Various Electrodes of High‐Performance Lithium‐Ion Batteries

27-Apr-2016 | Jung‐In Lee, Hyojin Kang, Kwang Hyun Park, Myoungsoo Shin, Dongki Hong, Hye Jin Cho, Na‐Ri Kang, Jungho Lee, Sang My ..., Small, 2016

It is known that grafting one polymer onto another polymer backbone is a powerful strategy capable of combining dual benefits from each parent polymer. Thus amphiphilic graft copolymer precursors (poly(vinylidene difluoride)‐graft‐poly(tert‐butylacrylate) (PVDF‐g‐PtBA)) have been developed via ...


Advanced High‐Voltage Aqueous Lithium‐Ion Battery Enabled by “Water‐in‐Bisalt” Electrolyte

27-Apr-2016 | Liumin Suo, Oleg Borodin, Wei Sun, Xiulin Fan, Chongyin Yang, Fei Wang, Tao Gao, Zhaohui Ma, Marshall Schroeder, Art ..., Angewandte Chemie International Edition, 2016

Abstract A new super‐concentrated aqueous electrolyte is proposed by introducing a second lithium salt. The resultant ultra‐high concentration of 28 m led to more effective formation of a protective interphase on the anode along with further suppression of water activities at both anode and ...


Beyond Poisson–Boltzmann: Numerical Sampling of Charge Density Fluctuations

26-Apr-2016 | Frédéric Poitevin; Marc Delarue; Henri Orland, Journal of Physical Chemistry B, 2016

We present a method aimed at sampling charge density fluctuations in Coulomb systems. The derivation follows from a functional integral representation of the partition function in terms of charge density fluctuations. Starting from the mean-field solution given by the Poisson–Boltzmann equation, ...


Experimental support for new electro active repair method for reinforced concrete

25-Apr-2016 | M. R. Geiker, R. B. Polder, Materials and Corrosion, 2016

This paper, describes experiments that form the basis of an invention that aims at improving the durability of conventional (mechanical) repairs to concrete structures suffering from chloride induced corrosion of reinforcing steel. The invention comprises application of a short term, low ...


Solution Structures of Highly Active Molecular Ir Water-Oxidation Catalysts from Density Functional Theory Combined with High-Energy X-ray Scattering and EXAFS Spectroscopy

22-Apr-2016 | Ke R. Yang; Adam J. Matula; Gihan Kwon; Jiyun Hong; Stafford W. Sheehan; Julianne M. Thomsen; Gary W. Brudvig; Rober ..., Journal of the American Chemical Society, 2016

The solution structures of highly active Ir water-oxidation catalysts are elucidated by combining density functional theory, high-energy X-ray scattering (HEXS), and extended X-ray absorption fine structure (EXAFS) spectroscopy. We find that the catalysts are Ir dimers with mono-μ-O cores and ...


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