Search results for "Radius"
showing 10 items of 708 documents
Effects of isotopic substitution on the conformational properties of polymeric aqueous solutions
2000
Abstract This work deals with a side-by-side comparison between the PEO conformational properties in H 2 O and D 2 O. The gyration radius, evaluated by SANS, the hydrodynamic radius, evaluated by PCS, and the Raman D-LAM band analysis furnish valuable information on the structural arrangement of the molecules. The findings clearly show different behavioural properties of the polymer in H 2 O and D 2 O.
Complex Formation of DNA with Oppositely Charged Polyelectrolytes of Different Chain Topology: Cylindrical Brushes and Dendrimers
2007
The complex formation between DNA (pUC19-supercoiled DNA, 2686 base pairs) and some polycations of different chain topologies in aqueous solution was studied by light scattering, gel electrophoresis, and AFM. The investigated polycations comprised cylindrical brush polymers with quaternized poly(vinylpyridine) and polyethylene imine side chains as well as a fifth generation dendrimer thus covering a broad molar mass regime of 3 × 104 g mol-1 < Mw < 1 × 107 g mol-1 and very different chemical charges/molecule, Z+, of 127 < Z+ < 5500. Irrespective of the polycation, the complexes formed in dilute solution exhibited a similar size in terms of the mean square radius of gyration, 〈Rg2〉, i.e., 30…
The influence of hydrophobic substitution on self-association of poly(ethylene oxide)-b-poly(n-alkyl glycidyl carbamate)s-b-poly(ethylene oxide) trib…
2007
Abstract A series of amphiphilic poly(ethylene oxide)-b-poly(n-alkyl glycidyl carbamate)s-b-poly(ethylene oxide) triblock copolymers were synthesized by reaction between poly(ethylene oxide)-b-polyglycidol-b-poly(ethylene oxide) precursor copolymer and four n-alkyl isocyanates: ethyl, propyl, butyl and pentyl. After dissolution in water at room temperature the copolymers spontaneously form micelles. The critical micellization concentrations were determined by UV–VIS spectroscopy. The dimensions of the micelles, the aggregation numbers, and in some cases the micellar shape were determined by dynamic and static light scattering in a relatively broad temperature range. Special attention has be…
Collapse of Linear Polyelectrolyte Chains in a Poor Solvent: When Does a Collapsing Polyelectrolyte Collect its Counterions?
2008
To better understand the collapse of polyions in poor solvent conditions the effective charge and the solvent quality of the hypothetically uncharged polymer backbone need to be known. In the present work this is achieved by utilizing poly-2-vinylpyridine quaternized to 4.3% with ethylbromide. Conductivity and light scattering measurements were utilized to study the polyion collapse in isorefractive solvent/nonsolvent mixtures consisting of 1-propanol and 2-pentanone, respectively, at nearly constant dielectric constant. The solvent quality of the uncharged polyion could be quantified which, for the first time, allowed the experimental investigation of the effect of the electrostatic intera…
Structure and reactivity of a mononuclear gold(II) complex.
2017
Mononuclear gold(II) complexes are very rare labile species. Transient gold(II) species have been suggested in homogeneous catalysis and in medical applications, but their geometric and electronic structures have remained essentially unexplored: even fundamental data, such as the ionic radius of gold(II), are unknown. Now, an unprecedentedly stable neutral gold(II) complex of a porphyrin derivative has been isolated, and its structural and spectroscopic features determined. The gold atom adopts a 2+2 coordination mode in between those of gold(III) (four-coordinate square planar) and gold(I) (two-coordinate linear), owing to a second-order Jahn–Teller distortion enabled by the relativistical…
Polymer Films in the Normal-Liquid and Supercooled State: A Review of Recent Monte Carlo Simulation Results
2000
This paper reviews recent Monte Carlo simulation studies of the glassy behavior in thin polymer films. The simulations employ a version of the bond-fluctuation lattice model, in which the glass transition is driven by the competition between a stiffening of the polymers and their dense packing in the melt. The melt is geometrically confined between two impenetrable walls separated by distances ranging from once to about fifteen times the bulk radius of gyration. The confinement influences static and dynamic properties of the films: Chains close to the wall preferentially orient parallel to it. This orientation tendency propagates through the film and leads to a layer structure at low temper…
Dynamics of Glassy Polymer Melts in Confined Geometry: A Monte Carlo Simulation
1996
Dynamic properties of a dense polymer melt confined between two hard walls are investigated over a wide range of temperatures by dynamic Monte Carlo simulation. The temperature interval ranges from the ordinary liquid to the strongly supercooled melt. The influence of temperature, density and confinement on the polymer dynamics is studied by various mean-square displacements, structural relaxation functions and quantities derived from them (relaxation times, apparent diffusion coefficients, monomer relaxation rates), yielding the following results: The motion of the monomers and polymers close to the walls is enhanced in parallel, but reduced in perpendicular direction. This dynamic anisotr…
Unmixing of Polymer Blends Confined in Ultrathin Films: Crossover between Two-Dimensional and Three-Dimensional Behavior
2006
The interplay between chain conformations and phase separation in binary symmetric polymer mixtures confined into thin films by "neutral" hard walls (i.e., walls that do not preferentially attract or repel one of the two components of the mixture) is studied by Monte Carlo simulations. Using the bond fluctuation model on a simple cubic lattice in the semi grand canonical ensemble, we locate the critical temperature of demixing via finite size scaling methods for a wide range of chain lengths (16/= N/= 256 effective monomers per chain) and film thicknesses (2/= D/= 19 lattice spacings). Simultaneously, we investigate the geometrical structure of the chains, showing that despite using melt de…
Structure of Polymer-Grafted Nanoparticle Melts.
2020
The structure of neat melts of polymer-grafted nanoparticles (GNPs) is studied via coarse-grained molecular dynamics simulations. We systematically vary the degree of polymerization and grafting density at fixed nanoparticle (NP) radius and study in detail the shape and size of the GNP coronas. For sufficiently high grafting density, chain sections close to the NP core are extended and form a dry layer. Further away from the NP, there is an interpenetration layer, where the polymer coronas of neighboring GNPs overlap and the chain sections have almost unperturbed conformations. To better understand this partitioning, we develop a two-layer model, representing the grafted polymer around an N…
Statistical properties of linear-hyperbranched graft copolymers prepared via "hypergrafting" of AB(m) monomers from linear B-functional core chains: …
2015
The reaction of ABm monomers (m = 2, 3) with a multifunctional Bf-type polymer chain ("hypergrafting") is studied by coarse-grained molecular dynamics simulations. The ABm monomers are hypergrafted using the slow monomer addition strategy. Fully dendronized, i.e., perfectly branched polymers are also simulated for comparison. The degree of branching of the molecules obtained with the "hypergrafting" process critically depends on the rate with which monomers attach to inner monomers compared to terminal monomers. This ratio is more favorable if the ABm monomers have lower reactivity, since the free monomers then have time to diffuse inside the chain. Configurational chain properties are also…