Phase equilibria and excess properties for binary systems in reactive distillation processes Part I. Methyl acetate synthesis

Isothermal vapor–liquid equilibrium (VLE) and excess enthalpy (H^E) data were measured for binary systems required for the design of reactive distillation processes for the methyl acetate production. The isothermal P–x data were measured with the help of a computer-operated static apparatus. A commercial isothermal flow calorimeter was used for the determination of the heats of mixing. Temperature-dependent interaction parameters for the UNIQUAC model were fitted simultaneously to the experimental data from this work and other authors.     

Filling Length in Finitely Presentable Groups

We study the filling length function for a finite presentation of a group , and interpret this function as an optimal bound on the length of the boundary loop as a van Kampen diagram is collapsed to the basepoint using a combinatorial notion of a null-homotopy. We prove that filling length is well behaved under change of presentation of . We look at 'AD-pairs' (f,g) for a finite presentation : that is, an isoperimetric function f and an isodiametric function g that can be realised simultaneously. We prove that the filling length admits a bound of the form [g+1][log (f+1)+1] whenever (f,g) is an AD-pair for . Further we show that (up to multiplicative constants) if is an isoperimetric function ( ) for a finite presentation then ( ) is an AD-pair. Also we prove that for all finite presentations filling length is bounded by an exponential of an isodiametric function.Partially supported by NSF grant DMS-9800158Supported by EPSRC Award No. 98001683 and Corpus Christi College, Oxford.     

CsMBi(3)Te(6) and CsM(2)Bi(3)Te(7) (M = Pb, Sn): new thermoelectric compounds with low-dimensional structures

The new materials CsPbBi(3)Te(6) and CsPb(2)Bi(3)Te(7) were discovered through reactions of CsBi(4)Te(6) with PbTe, whereas the isostructural materials CsSnBi(3)Te(6) and CsSn(2)Bi(3)Te(7) were discovered through corresponding reactions with SnTe. The compounds can also be prepared from stoichiometric mixtures of Cs(2)Te, Pb (Sn), Bi, and Te. The crystal structures show a layered architecture of NaCl-type slabs alternating with layers of Cs atoms. This group of compounds offers a new quaternary system, Cs-M-Bi-Te (M = Pb and Sn), available for thermoelectric investigations, including fine-tuning of compositions and doping.     

Ubi Caritas? — Modelling beliefs about charities

In this paper we report on a project in which we explored with a number of officers from different charities their beliefs about charitable giving, and built explicit models of these beliefs so that they might be examined in a more systematic way than they can be when just talking about them. We discuss some of the issues and problems around creating and using explicit models of individuals' beliefs to share wisdom, and report some of the things that happened when we sought to do this. We suggest that our approach provides practical help with the problems of sharing views.OR has traditionally been geared to those organizations who are able and willing to pay for it; in this paper we report on an OR project in organizations to whom it has not usually been available.     

Die Kristallstruktur des Calciumazid-Dihydrates

Single crystals of Ca(N₃)₂·2 H₂O have been prepared from aqueous solutions at room temperature. The crystals are monoclinic,a=1 159.0 (3),b=614.2 (2),c=785.5 (2) pm, =106.52 (2)°,Z=4, space group P2₁/n. The crystal structure was determined by single crystal X-ray diffraction (1 109 Mo-K-reflexions,R=0.052). Calcium atoms are surrounded by four azide groups and four water molecules. The coordination polyhedra are antiprism which are sharing azide groups and water molecules to form layers. The lattice constants and powder pattern agree well with values reported earlier for Ca(N₃)₂ · 1.5 H₂O [1]. It was also shown, that Sr(N₃)₂ · 2 H₂O is isotypic with Ca(N₃)₂ · 2 H₂O.

     

Röntgenkleinwinkeluntersuchungen der Eisen(III)-oxidhydrat-Micelle des Ferritins in Lösung

Ohne Zusammenfassung     

O,N,N'-trialkylisoureas as mild activating reagents for N-acylsulfonamide anchors

[chemical reaction: see text]. Prior to detachment of compounds synthesized on sulfonamide based safety-catch linkers, the molecular anchor has to be activated. This is achieved by alkylation of the nitrogen atom of the N-acylsulfonamide using different established protocols. As an addition to the existing repertoire of activating reagents, we suggest the use of O,N,N'-trialkylisoureas. Besides the demonstration of the feasibility of these mild alkylating agents for this purpose, custom-tailored novel O,N,N'-trialkylisoureas prepared from electron-deficient alcohols are reported.     

Shedding light on the structure of a photoinduced transient excimer by time-resolved diffraction

Time-resolved single-crystal diffraction performed with synchrotron radiation shows that the 53(1) micros phosphorescent state, generated in the crystalline phase of trimeric {[3,5-(CF3)(2)Pyrazolate]Cu}(3) molecules by exposure to 355 nm of light at 17 K, is due to the formation of an excimer rather than the shortening of the intramolecular Cu...Cu distances within the trimeric units, or the formation of a continuous chain of interacting molecules. One of the intermolecular Cu...Cu distances contracts by 0.56 Angstroms from 4.018(1) to 3.46(1) Angstroms;, whereas the interplanar spacing of the trimers is reduced by 0.65 Angstroms; from 3.952(1) to 3.33(1) Angstroms. Density-functional theory calculations support the formation of a Cu...Cu bond through the intermetallic transfer of a Cu 3d electron to a molecular orbital with a large 4p contribution on the reacting Cu atoms.     

All-optical switching in silicon photonic crystal waveguides by use of the plasma dispersion effect

Silicon photonic crystals offer new ways of controlling the propagation of light as well as new tools for the realization of high-density optical integration on monolithic substrates. However, silicon does not possess the strong nonlinearities that are commonly used in the dynamic control of optical devices. Such dynamic control is nevertheless essential if silicon is to provide the higher levels of functionality that are required for optical integration. We demonstrate that the combination of the refractive index change caused by the presence of photoexcited carriers, or so-called plasma dispersion, and photonic crystal properties such as photonic bandgaps, constitutes a powerful tool for active control of light in silicon integrated devices. We show close to 100% modulation depth near the photonic crystal band edge.