A Language for Teaching Discrete-event Simulation

Courses which teach discrete-event simulation are based on many different simulation languages. The requirements for a language to support teaching simulation are discussed. In particular, it is recommended that such languages separate into distinct modules those aspects of simulation which are taught as separate topics. Implementation of the separation is discussed. The SEESIM language, developed as a teaching aid, is described, and examples of its use are given. Straightforward use of SEESIM can be learned quickly, yet the language provides facilities for a staged introduction to advanced concepts of simulation.     

Ferrocene derivatives XXVIII. The metallation of phenylazoferrocene and the synthesis of phenylazocyclopentadienyl derivatives of other metals

Phenylazoferrocene undergoes nickelation and palladation exclusively on the phenyl group. Lithium phenylazocyclopentadienide has been converted into derivatives of Mo, Mn, Fe, Ru and Rh.     

Tunnelling in periodically driven systems

Tunnelling in periodically driven bistable symmetric potential wells is investigated in an analytical approximation in a domain where the driving frequency is large compared to the tunnelling frequency and only the four lowest lying levels contribute significantly. The influence of finite level widths is taken into account, and a smooth variation of the amplitude of the driving field is allowed for.     

A Diepoxide Belonging to the Rare C1 Point Group

2,6- and 2,7-Dimethylanthracenes were reduced seriatim with lithium in liquid ammonia and lithium in methylamine to their 1,4,5,8,9,10-hexahydro derivatives. Two-fold epoxidation of these tetraenes provided the cis and trans diepoxides resulting from electrophilic attack at the inner double bonds. Trans diepoxide 1 has the very unusual characteristic of lacking a σ plane of symmetry but possessing an inversion center. As a consequence, the ¹H NMR spectrum of C₁-symmetric 1 is simplified relative to those of its isomers 5, 9, and 10.     

Role of the microstructure on the transport properties of Y-doped zirconia and Gd-doped ceria

Transmission electron microscopy characterizations and XPS analyses have allowed us to show the influence of the microstructure and nanochemistry on the transport properties of Y₂O₃-(9 mol%)-stabilized zirconia (YSZ) and Gd₂O₃ (10 mol%)-doped ceria (GDC). The grain boundary electrical conductivity (σ_gb) and oxygen diffusion coefficient (D_o) of conventional YSZ ceramics increase with the grain size, while an opposite behavior was found for GDC samples. This difference was attributed to glassy precipitates present at YSZ grain boundaries. Furthermore, it was shown that kinetic demixing processes take place during cooling, at the end of sintering. This causes important changes in the cationic species distribution at interfaces and plays an important role on the transport properties of these two materials. Paper presented at the 9th EuroConference on Ionics, Ixia, Rhodes, Greece, Sept. 15 – 21, 2002.     

Multinuclear magnetic resonance study of some mesoionic oxatriazoles containing nitrogenous exocyclic groups

¹H,¹³C,¹⁴N and¹⁵N NMR measurements are reported for four mesoionic 1-oxa-2, 3, 4-triazoles containing exocyclic nitrogenous groups. The NMR signal assignments are discussed and compared with those previously published for some corresponding oxatriazoles. The results obtained support the proposed cyclic mesoionic structures for the compounds studied. The questions of possible charge delocalization and valence tautomerism are addressed. Compound with N^– H as a exocyclic group (Fig. 1) is found to be relatively unstable, this is attributed to proton migration in the corresponding non-cyclic form of this molecule.Published in Khimiya Geterotsikiicheskikh Soedinenii, No. 9, pp. 1260–1263, September, 1995.