Numerical investigation of flow boiling characteristics of water in a rectangular microchannel

Journal of Thermal Analysis and Calorimetry - In the case of flow boiling, the prediction of vapour fraction in the horizontal microchannel is a severe issue using the numerical technique....     

Working group report: Quantum chromodynamics

This is the report of the subgroup QCD of Working Group-4 at WHEPP-9. We present the activities that had taken place in the subgroup and report some of the partial results arrived at following the discussion at the working group meetings.     

（0,1;0）-INTERPOLATION ON INFINITE INTERVAL （-∞, ＋∞）

In this paper, we study the explicit representation and convergence of （0, 1;0）-interpolation on infisite interval, which means to determine a polynomial of degree ≤ 3n - 2 when the function values areprescribed at two set of points namely the zeros of Hn（x） and H′n （x） and the first derivatives at the zerosof H′n（x）.     

Partitioning arrangements of lines II: Applications

In this paper we present efficient deterministic algorithms for various problems involving lines or segments in the plane, using the partitioning algorithm described in a companion paper [A3]. These applications include: (i) anO(m ^2/3 n ^2/3 · log^2/3 n · log^/3 (m/n)+(m+n) logn) algorithm to compute all incidences betweenm points andn lines, where is a constant <3.33; (ii) anO(m ^2/3 n ^2/3 · log^5/3 n · log^/3 (m/n)+(m+n) logn) algorithm to computem faces in an arrangement ofn lines; (iii) anO(n ^4/3 log^(+2)/3 n) algorithm to count the number of intersections in a set ofn segments; (iv) anO(n ^4/3 log^{( + 2)/3} n) algorithm to count red-blue intersections between two sets of segments, and (v) anO(n ^3/2 log^/3 n) algorithm to compute spanning trees with low stabbing number for a set ofn points. We also present an algorithm that, given set ofn points in the plane, preprocesses it, in timeO(nm log^+1/2 n), into a data structure of sizeO(m) forn lognmn ², so that the number of points ofS lying inside a query triangle can be computed inO((n/m) log^3/2 n) time.Work on this paper has been supported by Office of Naval Research Grant N00014-87-K-0129, by National Science Foundation Grant DCR-83-20085, and by grants from the Digital Equipment Corporation and the IBM Corporation. A preliminary version of this paper appears in theProceedings of the 5th ACM Symposium on Computational Geometry, 1989, pp. 11–22.     

Theoretical study of unimolecular rearrangements of vinylidenes to acetylenes

The rearrangement of vinylidene to acetylene has been studied in detail by the density functional method, using Becke's three‐parameter exchange functional and the gradient‐corrected functional of Lee, Yang, and Parr. The rearrangement of the anion, as well as that of fluoro‐substituted systems, has also been investigated, in order to determine the effect of fluorine substitution on the activation barrier to the 1,2‐hydrogen shift, as well as the relative migratory aptitudes of hydrogen and fluorine. Natural bond orbital analysis is invoked to gain insight into the mechanisms of the rearrangements. Basis size effects are also discussed, particularly in relation to anionic systems. The need to include diffuse functions in geometry optimizations of anionic systems is reinforced by the present calculations. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2005     

Layered droplet microstructures in sheared emulsions: finite-size effects

We investigate the influence of confinement on the steady state microstructure of emulsions sheared between parallel plates, in a regime where the average droplet dimension is comparable to the gap width between the confining walls. Utilizing droplet velocimetry, we find that the droplets can organize into discrete layers under the influence of shear. The number of layers decreases from two (at relatively higher shear rates) to one (at lower shear rates), as the drops grow slightly larger due to coalescence. We argue that the layering and overall composition profile may be controlled by the interplay of droplet collisions (which can cause separation of droplet centers in the velocity gradient direction), droplet migration toward the centerline (due to wall effects), and droplet packing constraints. We also study the effects of mixture composition on droplet microstructure, and summarize these results in the form of a morphology diagram in the parameter space of mass fraction and shear rate. We find that formation of strings of the suspended phase (reported earlier by our group in flow-visualization studies on confined emulsions) is observed over a broad composition window. We also find a stable (nontransient) morphology wherein the droplets are arranged in highly ordered pearl-necklace chain structures.     

Investigation of the reaction products of 5-amino-1,3-disubstituted-pyrazoles with aromatic aldehydes. synthesis of new fluorinated 1,3,4-trisubstituted-4H-pyrazolo[3,4-e][1,4]thiazepin-7-ones

The condensation products of 5-amino-1,3-disubstituted-pyrazoles with aromatic aldehydes were identified as 2,4-dihydro-2,5-diphenyl-4-(phenylmethylene)-3H-pyrazol-5-imine derivatives Treatment of these products with mercaptoacetic acid gave new fluorine containing 1H-pyrazolo[3,4-e][1,4]thiazepin-7-ones.     

Role of Surface Molecular Architecture and Energetics of Hydrogen Bonding Sites in Adsorption of Polymers and Surfactants

Hydrogen bonding is generally thought to be an ubiquitous adsorption mechanism, which often foils selective adsorption schemes. Through investigation of hydrogen bonding energy and its dependence on surface molecular architecture, it may be possible to develop new methodologies to control the adsorption of surfactants and polymeric flocculants, depressants, and dispersants used in particulate processing industries. A model system using St?ber silica spheres and polyethylene oxide, a polymer known for its ability to form hydrogen bonds, was examined. The effect of two different surface treatments of the silica particles, calcination and rehydroxylation, upon the adsorption of two polymer molecular weights was studied. The adsorption behavior was then linked to the respective surface structures via characterization of the surfaces using FTIR, NMR, and Raman techniques. In this paper role of hydrogen bonding sites and surface architecture on adsorption is discussed. Copyright 2000 Academic Press.     

Trifluoroacetic acid: a more effective and efficient reagent for the synthesis of 3-arylmethylene-3,4-dihydro-1H-quinolin-2-ones and 3-arylmethyl-2-amino-quinolines from Baylis-Hillman derivatives via Claisen rearrangement

Trifluoroacetic acid has been discovered to be a highly effective and efficient reagent for the tandem Claisen rearrangement and cyclization reaction to yield 3-arylmethylene-3,4-dihydro-1H-quinolin-2-ones from compounds obtained from the S_N2 reaction between anilines and acetyl derivatives of Baylis-Hillman adducts of acrylates in the presence of DABCO. In contrast, similar compounds obtained from the acetyl derivatives of Baylis-Hillman adduct of acrylonitrile on treatment with trifluoroacetic acid directly furnish 3-arylmethyl-2-amino-quinoline via tandem Claisen rearrangement, cyclization and isomerization.