Flow separation in a computational oscillating vocal fold model

A finite-volume computational model that solves the time-dependent glottal airflow within a forced-oscillation model of the glottis was employed to study glottal flow separation. Tracheal input velocity was independently controlled with a sinusoidally varying parabolic velocity profile. Control parameters included flow rate (Reynolds number), oscillation frequency and amplitude of the vocal folds, and the phase difference between the superior and inferior glottal margins. Results for static divergent glottal shapes suggest that velocity increase caused glottal separation to move downstream, but reduction in velocity increase and velocity decrease moved the separation upstream. At the fixed frequency, an increase of amplitude of the glottal walls moved the separation further downstream during glottal closing. Increase of Reynolds number caused the flow separation to move upstream in the glottis. The flow separation cross-sectional ratio ranged from approximately 1.1 to 1.9 (average of 1.47) for the divergent shapes. Results suggest that there may be a strong interaction of rate of change of airflow, inertia, and wall movement. Flow separation appeared to be "delayed" during the vibratory cycle, leading to movement of the separation point upstream of the glottal end only after a significant divergent angle was reached, and to persist upstream into the convergent phase of the cycle.     

Sensitivity of Elastic Properties to Measurement Uncertainties in Laryngeal Muscles With Implications for Voice Fundamental Frequency Prediction

This paper discusses the effects of measurement uncertainties when calculating elastic moduli of laryngeal tissue. Small dimensions coupled with highly nonlinear elastic properties exacerbate the uncertainties. The sensitivity of both tangent and secant Young's Modulus was quantified in terms of the coefficient of variation, which depended on measurement of reference length and cross-sectional area. Uncertainties in the measurement of mass, used to calculate cross-sectional area of a small tissue sample, affected Young's Modulus calculations when tissue absorption of the hydrating solution was not accounted for. Uncertainty in reference length had twice the effect on elasticity than other measures. The implication of these measurement errors on predicted fundamental frequency of vocalization is discussed. Refinements on isolated muscle experimental protocols are proposed that pay greatest attention to measures of highest sensitivity.     

Conversion of ketones to trisubstituted olefins under neutral conditions

Phenylaziridine hydrazones react at 140°–160°C to provide sterically congested trisubstituted olefins in good yield.     

Macromodel—an integrated software system for modeling organic and bioorganic molecules using molecular mechanics

An integrated molecular modeling system for designing and studying organic and bioorganic molecules and their molecular complexes using molecular mechanics is described. The graphically controlled, atom-based system allows the construction, display and manipulation of molecules and complexes having as many as 10,000 atoms and provides interactive, state-of-the-art molecular mechanics on any subset of up to 1,000 atoms. The system semiautomates the graphical construction and analysis of complex structures ranging from polycyclic organic molecules to biopolymers to mixed molecular complexes. We have placed emphasis on providing effective searches of conformational space by a number of different methods and on highly optimized molecular mechanics energy calculations using widely used force fields which are supplied as external files. Little experience is required to operate the system effectively and even novices can use it to carry out sophisticated modeling operations. The software has been designed to run on Digital Equipment Corporation VAX computers interfaced to a variety of graphics devices ranging from inexpensive monochrome terminals to the sophisticated graphics displays of the Evans & Sutherland PS300 series.     

Hydrogen Production from Methane Decomposition Using a Mobile and Elongating Arc Plasma Reactor

Plasma Chemistry and Plasma Processing - Hydrogen and solid carbon were produced through methane decomposition in a plasma reactor with a parallel set of screw type helix and rod-like electrodes....     

Magnetically recoverable lanthanum hydroxide as an efficient catalyst for Aerobic Oxidative Conversions of primary alcohols to the nitriles

Herein we report a novel magnetically recoverable lanthanum hydroxide nanoparticles for oxidative synthesis of nitriles directly from corresponding alcohols with ammonia as nitrogen source. The procedure for the preparation and characterization of La(OH)₃/Fe₃O₄ magnetic nanoparticles were investigated and the scope and generality of the method was explored for a series of structurally diverse primary alcohols with electron‐donating and electron‐withdrawing groups. The best result was observed when 5 mol% of La with respect to the benzyl alcohol was used at reflux condition under O₂ atmosphere. The La(OH)₃/Fe₃O₄ magnetic nanoparticles could be easily isolated from the reaction mixture with an external magnet and reused at least 5 times without significant loss in activity.     

Uniformly dispersed copper nanoparticles onto the modified magnetically recoverable nanocatalyst for aqueous synthesis of primary amides

Magnetically recoverable and environmentally friendly Cu‐based heterogeneous catalyst has been synthesized for the one‐pot conversion of aldehydes to their corresponding primary amides. The Fe₃O₄@SiO₂ nanocomposites were prepared by synthesis of Fe₃O₄ magnetic nanoparticles (MNPs) which was then coated with a silica shell via Stöber method. Bi‐functional cysteine amino acid was covalently bonded onto the siliceous shell of nanocatalyst. The Cu^II ions were then loaded onto the modified surface of nanocatalyst. Finally, uniformly dispersed copper nanoparticles were achieved by reduction of Cu^II ions with NaBH₄. Amidation reaction of aryl halides with electron‐withdrawing or electron‐donating groups and hydroxylamine hydrochloride catalyzed with Fe₃O₄@SiO₂@Cysteine‐copper (FSC‐Cu) MNPs in aqueous condition gave an excellent yield of products. The FSC‐Cu MNPs could be easily isolated from the reaction mixture with an external magnet and reused at least 8 times without significant loss in activity.     

Pressure-flow relationships during phonation as afunction of adduction

Pressure-flow relationships were obtained for five excised caninelarynges. Simultaneous recordings were made of average subglottal pressure, average air flow, and the electroglottograph at various levels of adduction and vocal fold lengths. The level of adduction was controlled by positioning the arytenoid cartilages via laterally imbedded three-prong attachments and by the use of intra-arytenoid shims. Adduction was quantified by measuring the vocal process gap. Results indicated a linear pressure-flow relationship within the experimental range of phonation for each level of adduction. Differential glottal resistance increased as the vocal process gap was reduced. A model is presented for the differential resistance as a hyperbolic function of vocal process gap. The pressure-flow relationship and the model can be used in computer simulations of speech production and for clinical insight into the aerodynamic function of the human larynx.     

Computational and experimental study of annular photo-reactor hydrodynamics

The performance of ultraviolet (UV) reactors used for water treatment is greatly influenced by the reactor hydrodynamics due to the non-homogeneity of the radiation field. Reliable modeling of the reactor flow structures is therefore crucial for the design process. In this study, the turbulent flow through two characteristic annular UV-reactor configurations, with inlets concentric (L-shape) and normal (U-shape) to the reactor axis, was investigated through computational fluid dynamic (CFD). The modeling results were evaluated with the velocity profiles from particle image velocimetry (PIV) experiments. The influence of mesh structure and density, as well as three turbulence models: Standard κ–, Realizable κ–, and Reynolds stress model (RSM), on the simulation results were evaluated. Mesh-independent solutions were achieved at mean cell volumes of 5 × 10⁻⁹ m³. The Realizable κ– displayed the best overall match to the experimental PIV measurements. In general, the CFD models showed a close agreement with the experimental data for the majority of the reactor domain and captured the influences of reactor configuration and internal reactor structures on the flow distribution. The validated CFD hydrodynamic models could be integrated with kinetic and radiation distribution models for UV-reactor performance simulation.