Search results for "polymers"

New quantum Monte Carlo formulation for modeling trans-polyacetylene properties: specific heat calculation

2004

Abstract In this paper we propose a new hybridization scheme for numerical simulation based on the determinantal quantum Monte Carlo and analytical model to treat the vibration mode of one-dimensional trans -polyacetylene chain. We use both of the extended Hubbard model (EHM) and Peierls–Hubbard model to compute the specific heat for different assumptions. For both the two models, our results indicate that the behavior of the specific heat is characterized by a maximum. We also introduce the effect of dimerization through Peierls–Hubbard model. In this case it is found that the specific heat magnitude is slightly more important when compared to specific heat value found with the EHM case. M…

Relaxation of self-entangled many-arm star polymers

1989

We present a description of the relaxation of star polymers based on the conformational scaling properties predicted by Daoud and Cotton and confirmed in our recent simulations. We identify three typical relaxation mechanisms. The first describes elastic deformation of the overall shape. Its relaxation time is nearly independent off. A second type of relaxation occurs via rotational diffusion. We predict that the relaxation time should scale with Nwlfz-v where Y is the correlation length exponent. A third relaxation process is the disentanglement of two or more arms. Here the longest relaxation time should increase exponentially with f llz. We measure various relaxation processes by molecul…

A Heterobimetallic Anionic 3,6-Connected 2D Coordination Polymer Based on Nitranilate as Ligand

2016

In order to synthesize new coordination polymers with original architectures and interesting magnetic properties, we used the nitranilate ligand (C₆O₄(NO₂)₂2- = C₆N₂O₈2-), derived from the dianionic ligand dhbq2- (2,5-dihydroxy-1,4-benzoquinone = H₂C₆O₄2-). The use of this bis-bidentate bridging ligand led to [(DAMS)₂{FeNa(C₆N₂O₈)₃}·CH₃CN]n (1) (DAMS⁺ = C16H17N₂⁺ = 4-[4-(dimethylamino)-α-styryl]-1-methylpyridinium), a 2D heterometallic coordination polymer presenting an unprecedented structure for any anilato-based compound. This structural type is a 3,6-connected 2D coordination polymer derived from the well-known honeycomb hexagonal structure, where Fe(III) ions alternate with Na⁺ dimers …

1980

Compression creep and stress-relaxation tests have been performed on PMMA at several deformations after the sample yielding. At large loading rates, the behaviour observed was found significantly affected by the temperature rise due to the plastic deformation. Creep and stress-relaxation data taken holding the samples at constant temperature after the material loading could be collected into single curves by means of a time shift factor proportional to the loading rate. Retardations- und Relaxationsuntersuchungen bei Druckbeanspruchung von PMMA wurden bei verschiedenen Deformationen oberhalb des Fliespunktes durchgefuhrt. Bei hohen Beanspruchungsgeschwindigkeiten wurde festgestellt, das das…

PEG-based Multifunctional Polyethers with Highly Reactive Vinyl-Ether Side Chains for Click-Type Functionalization

2011

Introduction of highly reactive vinyl ether moieties along a poly(ethylene-glycol) (PEG) backbone has been realized by copolymerization of the novel epoxide monomer ethoxy vinyl glycidyl ether (EVGE) with ethylene oxide (EO). A series of copolymers with varying structure (block and random) as well as EVGE comonomer content (5-100%) with molecular weights in the range of 3,900-13,200 g/mol and narrow molecular weight distributions (M-w/M-n = 1.06-1.20) has been synthesized and characterized with respect to their microstructure and thermal properties. The facile transformation of the vinyl ether side chains in click type reactions was verified by two different post polymerization modification…

Studies on the structure of coumarin-modified dextran nanoparticles by fluorescence spectroscopy.

2012

The photophysical and photochemical characteristics of nano-scaled particles obtained via solvent displacement from coumarin-modified dextrans were studied by means of absorption- and fluorescence-spectroscopy. The environment-dependent fluorescence emission of the pendant 4-methyl-7-alkoxy coumarin groups was exploited as a probe to gain information about the inner structure of the polysaccharide based nanoparticles. Time-resolved fluorescence measurements showed that the particles had two domains of different polarity and it could be confirmed that the core of the nano-assemblies contained water. Moreover, preliminary experiments were carried out demonstrating the possibility to control t…

Myrcenol-Based Monomer for Carbanionic Polymerization: Functional Copolymers with Myrcene and Bio-Based Graft Copolymers

2020

A bio-based hydroxyl group-containing diene monomer, silyl-protected β-myrcenol (MyrOSi), is introduced to the field of carbanionic polymerization. Polymerization in cyclohexane, using sec-butyllit...

A Qualitative Analysis of Secondary Mechanisms in SEC of Polymers Through the Mean Value of the Viscosimetric Exponent

2001

Abstract Size exclusion chromatography (SEC) universal calibration curves for poly(dimethylsiloxane), polybutadiene and poly(2-vinylpyridine) samples have been obtained in columns packed with cross-linked polystyrene gel using cyclohexane, toluene, benzene, dioxane and tetrahydrofuran as eluents at 25°C. The eluents exhibit different thermodynamic quality for the polymeric solutes and for the gel matrix which is reflected in the values of their Mark-Houwink-Sakurada exponents a. The plots of log(hydrodynamic volume) versus retention volume for the polymeric solutes in different eluents are displaced to higher retention volumes than that of THF-polybutadiene (ideal SEC), evidencing the exist…

Enthalpy and Entropy Contributions to Solvent Quality and Inversions of Heat Effects with Polymer Concentration

2006

Vapor pressures above the solutions of polystyrene in either cyclohexane (32-60 °C) or toluene (10-70 °C) have been measured by a combination of head space sampling and gas chromatography as a function of the volume fraction φ of the polymer. The thus obtained Flory-Huggins interaction parameters Χ (φ; T) were complemented by data for three other systems (tert-butyl acetate/polystyrene, cyclohexane/poly(vinyl methyl ether), 2-propanol/poly(butyl methacrylate)) reported in the literature and analyzed in terms of their enthalpy and entropy parts Χ H and Χ s . Furthermore these experimental findings were modeled by means of an approach splitting the mixing process conceptually into two parts a…

Combining inulin multifunctional polycation and magnetic nanoparticles: Redox-responsive siRNA-loaded systems for magnetofection

2019

Superparamagnetic Iron Oxide Nanoparticles (SPIONs) are recognized as one of the most promising agents for theranostic applications. Among methods designed for siRNA delivery, magnetofection, that is, nucleic acid cell uptake under the influence of a magnetic field acting on magnetic nucleic acid vectors, is emerging as a unique approach to combining advantages such as strong improvement of the kinetics of the delivery process and the possibility of localizing nucleic acid delivery to an area where the magnetic field is applied. This paper reports on the preparation of siRNA loaded magnetoplexes&mdash