Search results for "MECHANICS"
showing 10 items of 9361 documents
Hydrodynamic mechanisms of spinodal decomposition in confined colloid-polymer mixtures: A multiparticle collision dynamics study
2013
A multiscale model for a colloid-polymer mixture is developed. The colloids are described as point particles interacting with each other and with the polymers with strongly repulsive potentials, while polymers interact with each other with a softer potential. The fluid in the suspension is taken into account by the multiparticle collision dynamics method (MPC). Considering a slit geometry where the suspension is confined between parallel repulsive walls, different possibilities for the hydrodynamic boundary conditions (b.c.) at the walls (slip versus stick) are treated. Quenching experiments are considered, where the system volume is suddenly reduced (keeping the density of the solvent flui…
On the tribology and rheology of polymer brushes in good solvent conditions: a molecular dynamics study
2003
Tribological and rheological properties of two polymer brushes in relative sliding motion and good solvent conditions are investigated by means of molecular dynamics (MD) simulations. The lateral forces between the brushes are found to decrease logarithmically with increasing relative sliding velocity v0 over a range of more than one decade in v0. We also observe an almost logarithmic relaxation of the end-to-end distance vector that occurs after sliding is stopped. The coincidence of these logarithmic dependencies support the picture that friction between polymer brushes is small due to the retraction of the polymers from the interpenetration zone. The shear stress relaxes almost instantly…
Universal glue for cells
2012
A dendritic polymer consisting of inversely oriented lipid head groups on a polyvalent polyglycerol scaffold makes an effective reversible biomembrane adhesive that may find use as a tissue sealant and a drug-delivery vehicle.
Scattering function and the dynamics of phase separation in polymer mixtures under shear flow
1988
The phenomenological mean-field theory describing concentration fluctuations and spinodal decomposition of binary mixtures of long flexible macromolecules is generalized to mixtures under steady shear flow. This shear flow leads to a partial orientation and stretching of the coils, as well as to an anisotropic deformation of concentration fluctuations. Generalizing the approach of Onuki and Kawasaki, we obtain the collective scattering function describing these concentration fluctuations in the mixture under shear flow. Both the steady-state situation in the one-phase region and the initial stages of spinodal decomposition for concentrations inside of the spinodal curve are considered.
Investigation of Multicomponent Sorption in Polymers from Fluid Mixtures at Supercritical Conditions: The Case of the Carbon Dioxide/Vinylidenefluor…
2008
The simultaneous sorption of carbon dioxide and vinylidene fluoride (VDF) in poly(vinylidenefluoride) from their supercritical (sc) mixtures was studied using an experimental method, already described in a previous publication, based on the gas-chromatographic determination of the equilibrium composition of the fluid phase in contact with the polymer. Argon was added to the system as a nonabsorbable molecular probe in the polymer to take into account the effect of the volume swelling on the measurement. Sorption behavior has been studied at 50 °C by changing the composition and the density of the supercritical phase. We have found that VDF dissolves in its polymer with concentrations much l…
Structure and Dynamics of NaCl in Methanol. A Molecular Dynamics Study
1991
Abstract A recently developed flexible three-site model for methanol was employed to perform a Molecular Dynamics simulation of a 0.6 molal NaCl solution. The ion-methanol and ion-ion potential functions were derived from ab initio calculations. The structural properties of the solution are discussed on the basis of radial and angular distribution functions, the orientation of the methanol molecules, and their geometrical arrangement in the solvation shells of the ions. The dynamical properties of the solution - like self-diffusion coefficients, hindered translations, librations, and internal vibrations of the methanol molecules - are calculated from various autocorrelation functions.
Radical cation salts based on BEDT-TTF and the paramagnetic anion [Cr(NCS)6]3−
1999
Abstract A new radical cation salt formulated as (ET)5.5[Cr(NCS)6] (ET = BEDT-TTF = bis(ethylene)dithiotetrathiafulvalene) has been synthesised and characterised by X-ray diffraction and magnetic measurements. The structure shows the presence of alternating layers of the ET units and mixed layers of anions and an isolated ET molecule. The magnetic susceptibility data in the temperature range 2–300 K show a Curie law with C = 1.771 cm3.K.mol−1 and Nα = 1.20.10−5 cm3.mol−1, in agreement with the presence of isolated Cr(III) without any contribution from the organic part.
Strontium Insertion in Methylammonium Lead Iodide: Long Charge Carrier Lifetime and High Fill-Factor Solar Cells.
2016
The addition of Sr2+ in CH3 NH3 PbI3 perovskite films enhances the charge carrier collection efficiency of solar cells leading to very high fill factors, up to 85%. The charge carrier lifetime of Sr2+ -containing perovskites is in excess of 40 μs, longer than those reported for perovskite single crystals.
Inhibitoren der Korrosion 10 (1). Nachweis der Sekundärinhibition durch Allyl-triphenyl-phosphonium- bzw. arsoniumbromid und N-Allyl-chinaldiniumbrom…
1971
Triphenyl-allyl-phosphonium- (1) und -arsoniumsalze (2) sowie Allyl-chinaldinium-bromid (4) sind Korrosionsinhibitoren mittlerer Wirksamkeit. Sie werden von Carbonyleisenpulver im sauren Medium zu Triphenylphosphin bzw. Triphenylarsin bzw. Chinaldin reduziert. Triphenylphosphin und Triphenylarsin, die sich als Schicht auf dem Carbonyleisenpulver befinden, konnen nach Extraktion dunnschichtchromatographisch identifiziert werden. Die Allylgruppe wird aus den Verbindungen 1, 2 und 4 durch Eisen als Propen, Propan und wahrscheinlich als Cyclopropan abgelost. Die gaschromatographisch bestimmten Mengen an Kohlenwasserstoffen stehen in guter Ubereinstim-mung mit den gravimetrisch ermittelten Werte…
Triarylamines connected via phenylenevinylene segments
2003
Abstract The influences of the conjugation length and of side chains with various electronic character on the electro-optical properties of oligo(phenylenevinylene)s end-capped with diphenylamino groups are investigated. Horner-Olefinations were used for the synthesis of chromophores with 3–7 rings in the conjugated system, additionally, Pd-catalysed amination of bromo-OPVs is a useful route to introduce the end groups. Compared with the “electronically neutral” alkyl side chains, electron donating ethers and, more pronounced, electron withdrawing sulfonyl side chains shift the absorption and emission spectra to longer wavelengths. The elongation of the π-system from 3 to 5 and 7 rings has …