On accurate boundary conditions for a shape sensitivity equation method

This paper studies the application of the continuous sensitivity equation method (CSEM) for the Navier–Stokes equations in the particular case of shape parameters. Boundary conditions for shape parameters involve flow derivatives at the boundary. Thus, accurate flow gradients are critical to the success of the CSEM. A new approach is presented to extract accurate flow derivatives at the boundary. High order Taylor series expansions are used on layered patches in conjunction with a constrained least‐squares procedure to evaluate accurate first and second derivatives of the flow variables at the boundary, required for Dirichlet and Neumann sensitivity boundary conditions. The flow and sensitivity fields are solved using an adaptive finite‐element method. The proposed methodology is first verified on a problem with a closed form solution obtained by the Method of Manufactured Solutions. The ability of the proposed method to provide accurate sensitivity fields for realistic problems is then demonstrated. The flow and sensitivity fields for a NACA 0012 airfoil are used for fast evaluation of the nearby flow over an airfoil of different thickness (NACA 0015). Copyright © 2005 John Wiley & Sons, Ltd.     

On the mechanism of phenol ozonolysis

The mechanisms of liquid-phase phenol ozonation are revised. A new mechanism in which a significant role is played by free-radical reactions is suggested for this process.     

On interrelation between the internal pressure and the cohesion energy density

The question about the definition of the “internal pressure” concept is being discussed. It is shown that the previously found differential relation between the cohesion energy density and the internal pressure is one of the examples of an absolutely general interrelation between definitely connected differential functions. It is ascertained that the ratio (the internal pressure divided by the cohesion energy density) is a structuresensitive parameter inherent to the calorific (thermal) equation of a liquid state.     

Microbial Baeyer-Villiger Oxidation of Ketones by Cyclohexanone and Cyclopentanone Monooxygenase – A Computational Rational for Biocatalyst Performance

Summary. Recombinant Escherichia coli overexpressing Pseudomonas sp. NCIMB 9872 cyclopentanone monooxygenase (CPMO, EC 1.14.13.16) and Acinetobacter sp. NCIMB 9871 cyclohexanone monooxygenase (CHMO, EC 1.14.13.22) have been utilized in whole-cell Baeyer-Villiger biotransformations of prochiral bicycloketones. A significant difference in substrate acceptance and stereoselectivity was observed for bicyclo[3.3.0] and bicyclo[4.3.0] substrates. A plausible mechanism of these transformations was established by means of high level DFT/B3LYP calculations suggesting an essential difference in electronic requirements for a successful enzymatic conversion, which was similarly encountered in recombinant whole-cell mediated biooxidations. Some of the lactones produced in the biocatalytic Baeyer-Villiger oxidation represent key intermediates for the synthesis of indole alkaloids.     

Approximation Methods for Solving the Cauchy Problem

In this paper we give some new results concerning solvability of the 1-dimensional differential equation y′ = f(x, y) with initial conditions. We study the basic theorem due to Picard. First we prove that the existence and uniqueness result remains true if f is a Lipschitz function with respect to the first argument. In the second part we give a contractive method for the proof of Picard theorem. These considerations allow us to develop two new methods for finding an approximation sequence for the solution. Finally, some applications are given.     

Features of the Motion of a Gas-Liquid Medium in a Compound Shell (Sphere and Truncated Cone) Subject to Vibration

The results from an experimental study into the dynamic behavior of a gas-liquid medium and solid particles in a compound shell (sphere-truncated cone) are reported on. The following processes are studied: formation of gas bubbles and their clusters, strong macroflows, and intensive chaotic motion of the medium in the truncated cone as a nonlinear vibrating liquid-gas system__________Translated from Prikladnaya Mekhanika, Vol. 41, No. 1, pp. 112–118, January 2005.     

Bounds on the cardinalities of families of nearly neighborly quadrilaterals

We show nearly neighborly families of nine quadrilaterals and conjecture that this is the maximum. Using techniques developed by J. Zaks for nearly neighborly tetrahedra, we show that a nearly neighborly family of quadrilaterals has at most 14 members. A nearly neighborly family of quadrilaterals is said to share a base line if all nearly neighborly quadrilaterals lie on the same side of the line and the line contains a side of each. These families form an important special case. We show that there are 35 inequivalent examples of nearly neighborly families of four quadrilaterals on a base line, but that it is impossible to have a family of five nearly neighborly quadrilaterals on a base line.This work was supported in part by the University of Illinois Research Board, UIUC, Urbana, IL.