Some non‐standard problems in viscous flow

Energy bounds are derived for Dirichlet type boundary value problems for the Navier–Stokes and Stokes equations when a combination of the solution values initially and at a later time is prescribed. The bounds are obtained by means of a differential inequality and imply uniqueness and continuous data dependence of the solutions for a range of values of the parameter in the non‐standard auxiliary condition. Copyright © 2004 John Wiley & Sons, Ltd.     

Variational aspects of Faddeev calculations

We examine differences between³H binding energies obtained by solving the Faddeev equations using standard partial-wave expansion procedures and results from solving the Schrödinger equation by means of the coupled-rearrangement-channel variational method. Variational bounds generated from Faddeev solutions for several contemporary, realistic potential models are presented as a function of the number of partial waves retained in the potential expansion. We demonstrate that the Faddeev wave function yields an optimal variational bound for the partial-wave truncated potential from which it is generated, but it does not yield optimal bounds for the full Hamiltonian or when the potential is partial-wave truncated at a different level. Finally, qualitative differences between³H solutions for static models such as the AV14 and RSC potentials and for momentum-dependent models such as the Nijmegen soft-core and Paris potentials are explored, and comparison is made with solutions for the RSC/TM two-body-force plus three-body-force model.     

Continuous dependence on the geometry and on the initial time for a class of parabolic problems I

In this paper, we investigate the continuous dependence on the geometry and the initial time for solutions u( x , t) of a class of nonlinear parabolic initial‐boundary value problems. Copyright © 2007 John Wiley & Sons, Ltd.     

Improved bounds for some nonstandard problems in generalized heat conduction

We consider the Maxwell-Cattaneo system of equations for generalized heat conduction where the temperature and heat flux satisfy a nonstandard auxiliary condition which prescribes a combination of their values initially and at a later time. We obtain L₂ bounds for the temperature and heat flux by means of Lagrange identities. These bounds extend the range of validity for the parameter in the nonstandard condition under a constraint on the coefficients in the differential equations.     

Pointwise and L2 bounds in some nonstandard problems for the heat equation

We consider some initial-boundary value problems for the linear and nonlinear heat equation where the gradient of the solution is prescribed on the boundary. Assuming that a solution exists, we obtain bounds for the solution and its gradient by maximum principle arguments or by means of differential and integral inequalities.     

Lower bounds for the blow-up time in a temperature dependent Navier-Stokes flow

In this paper we consider two different initial-boundary value problems in temperature dependent viscous flow when the temperature equation has a nonlinear heat source term. When blow-up occurs we derive lower bounds for the blow-up time in each case.     

Spatial decay in a double diffusive convection problem in Darcy flow

This paper deals with a model of time-dependent double diffusive convection in Darcy flow. In particular it is concerned with the spatial decay of solutions when the flow is confined to a semi-infinite cylinder. Decay bounds for an energy expression are derived.     

A density functional theory computational study of the role of ligand on the stability of CuI and CuII species associated with ATRP and SET‐LRP

Atom transfer radical polymerization (ATRP) and single electron‐transfer living radical polymerization (SET‐LRP) both utilize copper complexes of various oxidation states with N‐ligands to perform their respective activation and deactivation steps. Herein, we utilize DFT (B3YLP) methods to determine the preferred ligand‐binding geometries for Cu/N‐ligand complexes related to ATRP and SET‐LRP. We find that those ligands capable of achieving tetrahedral complexes with Cu^I and trigonal bipyramidal with axial halide complexes with [Cu^IIX]⁺ have higher energies of stabilization. We were able to correlate calculated preferential stabilization of [Cu^IIX]⁺ with those ligands that perform best in SET‐LRP. A crude calculation of energy of disproportionation revealed that the same preferential binding of [Cu^IIX]⁺ results in increased propensity for disproportionation. Finally, by examining the relative energies of the basic steps of ATRP and SET‐LRP, we were able to rationalize the transition from the ATRP mechanism to the SET‐LRP mechanism as we transition from typical nonpolar ATRP solvents to polar SET‐LRP solvents. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 4950–4964, 2007     

Synthesis of poly(vinyl chloride)‐b‐poly(n‐butyl acrylate)‐b‐poly(vinyl chloride) by the competitive single‐electron‐transfer/degenerative‐chain‐transfer‐mediated living radical polymerization in water

The synthesis of a block copolymer poly(vinyl chloride)‐b‐poly(n‐butyl acrylate)‐b‐poly(vinyl chloride) is reported. This new material was synthesized by single‐electron‐transfer/degenerative‐chain‐transfer‐mediated living radical polymerization (SET‐DTLRP) in two steps. First, a bifunctional macroinitiator of α,ω‐di(iodo)poly (butyl acrylate) [α,ω‐di(iodo)PBA] was synthesized by SET‐DTLRP in water at 25 °C. The macroinitiator was further reinitiated by SET‐DTLRP, leading to the formation of the desired product. This ABA block copolymer was synthesized with high initiator efficiency. The kinetics of the copolymerization reaction was studied for two PBA macroinitiators with number–average molecular weight of 10 k and 20 k. The relationship between the conversion and the number–average molecular weight was found to be linear. The dynamic mechanical thermal analysis suggests just one phase, indicating that copolymer behaves as a single material with no phase separation. This methodology provides the access to several block copolymers and other complex architectures that result from combinations of thermoplastics (PVC) and elastomers (PBA). From industrial standpoint, this process is attractive, because of easy experimental setup and the environmental friendly reaction medium. © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 3001–3008, 2006