On phenomenon of scattering on resonances associated with discretisation of systems with fast rotating phase

Numerical integration of ODEs by standard numerical methods reduces continuous time problems to discrete time problems. Discrete time problems have intrinsic properties that are absent in continuous time problems. As a result, numerical solution of an ODE may demonstrate dynamical phenomena that are absent in the original ODE. We show that numerical integration of systems with one fast rotating phase leads to a situation of such kind: numerical solution demonstrates phenomenon of scattering on resonances that is absent in the original system.     

Migration and Precipitation of Platinum in Anion-Exchange Membrane Fuel Cells

Despite the recent progress in increasing the power generation of Anion-exchange membrane fuel cells (AEMFCs), their durability is still far lower than that of Proton exchange membrane fuel cells (PEMFCs). Using the complementary techniques of X-ray micro-computed tomography (CT), Scanning Electron Microscopy (SEM) and Energy Dispersive X-ray (EDX) spectroscopy, we have identified Pt ion migration as an important factor to explain the decay in performance of AEMFCs. In alkaline media Pt⁺² ions are easily formed which then either undergo dissolution into the carbon support or migrate to the membrane. In contrast to PEMFCs, where hydrogen cross over reduces the ions forming a vertical “Pt line” within the membrane, the ions in the AEM are trapped by charged groups within the membrane, leading to disintegration of the membrane and failure. Diffusion of the metal components is still observed when the Pt/C of the cathode is substituted with a FeCo−N−C catalyst, but in this case the Fe and Co ions are not trapped within the membrane, but rather migrate into the anode, thereby increasing the stability of the membrane.     

Experimental and Theoretical Studies of the HeICl Van der Waals Complexes in the Valence and Ion-pair States

The article presents results of experimental and theoretical analysis of the T-shaped and linear HeICl van der Waals complexes in the valence A1 and ion-pair β1 states as well as the HeICl(A1,v_A,n_A←X0⁺,v_X=0,n_x and β1,v_β,n_β←A1,v_A,n_A) optical transitions (n_i are quantum numbers of the vdW) modes). The HeICl(β1,v_β,n_β)→He+ICl(E0⁺, , β1) decay are also studied. Luminescence spectra of the HeICl(β1,v_β=0–3,n_β) complex electronic (ICl(E0⁺,v_E, ) and vibrational ICl(β1,v_β) predissociation products are measured, and branching ratios of decay channels are determined. To construct potential energy surfaces for the HeICl(A1, β1) states, we utilized the intermolecular diatomic-in-molecule perturbation theory first order method. Experimental and calculated spectroscopic characteristics of the A1 and β1 states agree well. Comparison of the experimental and calculated pump-probe, action and excitation spectra shows that the calculated spectra describe the experimental spectra adequately.     

Computer simulations of stretching and collapse of polymer molecules in solution

Computer simulations are reported for system of linear polymer molecules, diblock copolymer and dendrimer in dilute solution without and with elongational flow. The effect of fluctuating hydrodynamics interactions (HI) on the coil-stretch transition of linear polymers and dendrimers in elongational flow is studied. The process of coiling of homo- and blockcopolymer from completely extended state is also simulated.     

Simulation of Molecular Weight Distributions Obtained by Pulsed Laser Polymerization (PLP): New Analytical Expressions Including Intramolecular Chain Transfer to the Polymer

A new approach for the simulation of PLP (pulsed laser polymerization) is presented. This approach allows one to obtain new analytical solutions for different polymerization schemes, including either chain transfer to the monomer or intramolecular chain transfer to the polymer. The first results of the simulation of PLP experiments on n‐butyl acrylate at 20 °C and ambient pressure are presented.

MWDs simulated for PLP of n‐butyl acrylate, in bulk at 20 °C and ambient pressure using three models: the model with intramolecular chain transfer to the polymer (solid line), the model with chain transfer to monomer (dashed line), and the classical model (dotted line).