Computer aided kinetic modeling with KMT and KME

The complexity of many chemical and refining reaction systems and the thus-derived tedious and time-consuming process of building the associated kinetic models have been major obstacles in the use of fundamental kinetics in the solution of chemical engineering problems. This review summarizes work aimed at removing theses obstacles. Our recent work that has led to the enhancement of the Kinetic Modeler's Toolbox (KMT) and the development of the Kinetic Model Editor (KME) presents an end-to-end solution to the kinetic modeling process, including automated feedstock modeling, reaction network construction, kinetic rate estimation, model programming, process system configurations, model customizations, compilations, model execution and results analysis.     

Removal of acidic impurities from gases by absorption using monoethanolamine: A review

Recent research on absorbent applications of monoethanolamine and its solutions in water and other organic compounds is reviewed.     

Concomitant Crystallization of Copper(II) Sachharinato Complexes with 2-methylpyrazine as a Monomer and an One-dimensional Polymer: Syntheses,Crystal Structures,Spectroscopic and Thermal Properties

The reaction of [Cu(sac)₂(H₂O)₄] · 2H₂O with 2-methylpyrazine (mpyz) leads two complexes, concomitant crystallization of a mononuclear complex [Cu(sac)₂(mpyz)(H₂O)₂] (1) and a polymeric complex [Cu(sac)₂(μ-mpyz)]_n (2). Both complexes have been characterized by elemental analyses, magnetic measurements, FT-IR and ESR, TG-DTA and single-crystal X-ray diffraction analyses. Single-crystal X-ray analyses show that complex 1 consists of discrete molecules in which the copper(II) ions exhibits a square-pyramidal coordination geometry. The individual molecules of 1 are connected into a hydrogen-bonded chain structure, which is further assembled to form a three-dimensional network by π–π stacking interactions. Complex 2 is an 1D coordination polymer in which copper(II) centers are bridged by the mpyz ligand. The chains are further assembled to form two-dimensional frameworks by π–π and C–H···π stacking interactions.     

Pulsating Jet Impingement Heat Transfer Enhancement

This article presents results from a numerical study of pulsating jet impingement heat transfer. The motivation is to seek conditions offering a significant enhancement compared to steady flow impingement drying. The CFD software package FLUENT was used for simulating slot-type pulsating jet impingement flows with confinement. The parameter study included velocity amplitude ratio, mean jet velocity, and pulsation frequency. The distance from nozzle exit to surface was three times the hydraulic diameter of the nozzle. The Reynolds number based on the nozzle hydraulic diameter and jet temperature was 2,460 with a mean jet velocity of 30 m/s, which is the base case of the numerical experiments. Results showed that time-averaged surface heat transfer increased with increasing velocity amplitude for the same mean jet velocity. Large velocity amplitudes helped enhance heat transfer by two mechanisms: high jet velocity during the positive cycle and strong recirculating flows during the negative cycle. For the cases with different mean jet velocities but the same maximum velocity, time-averaged surface heat flux decreased with decreasing mean jet velocity. As for the effects of pulsation frequency, with high-velocity amplitude ratio, time-averaged surface heat fluxes were at the same level regardless of frequency. However, at low-velocity amplitude ratio, high frequency caused stronger recirculating flows resulting in greater heat transfer compared to the cases with a lower frequency.     

Investigation of the nucleation and growth mechanisms of nanocrystalline diamond/amorphous carbon nanocomposite films

Nucleation and growth, but especially the development of the morphology of nanocrystalline diamond/amorphous carbon (NCD/a-C) nanocomposite films have been investigated by systematic variation of three important parameters, namely the deposition time, the growth rate, and the substrate pre-treatment used to enhance the nucleation density. The films have been characterized, among others, by scanning electron microscopy, atomic force microscopy, and Fourier transform infrared spectroscopy. It is shown that, by successive addition of ultradispersive diamond powder to the suspension of nanocrystalline diamond powder in n-pentane used for the ultrasonic pre-treatment, the nucleation density can be enhanced by two orders of magnitude from 1 · 10⁸ cm^− 2 to > 1 · 10¹⁰ cm^− 2. This reduces the thickness required to achieve closed films from 1 µm to 100 nm. However, once coalescence of the individual nodules emerging from the nucleation sites has taken place the films loose “memory” of the nucleation step and start to develop the typical NCD morphology consisting of larger features with diameters of some hundreds of nm which are in turn composed of much smaller features. Irrespective of the feature size and of the parameters used, the films of this investigation possess AFM rms roughnesses of 9–13 nm, indicating that rms values are not sufficient to characterize NCD surfaces.     

c-BN color change with bonded water added into the h-BN–Mg system

Cubic boron nitride (c-BN) crystals were synthesized in conditions of high temperature and high pressure (HTHP) when different kinds of bonded water were respectively added into the system of h-BN–Mg. All bonded water used in this work could reduce the temperature of growing c-BN compared to that in the system of h-BN–Mg. The c-BN color could change from black to yellow when certain amounts of bonded water, such as NiSO₄·6H₂O and CuSO₄·5H₂O, Mg(OH)_2, were added. However, c-BN color remained black no matter how much bonded water, such as NiCl₂·6H₂O, CuCl₂·2H₂O, and SnCl₂·2H₂O, was added. The bonded water can be classified into Chlorine-containing bonded water (Cl-BW) and Chlorine-free bonded water (ClF-BW) according to their different characters and effects on the synthesized c-BN color.     

Esthetic decision‐making: How do people select colours for real settings?

A feature of the empirical literature in colour psychology is that little attention has been given to how people in real settings engage in colour selection. Surprisingly, with rare exceptions, we know almost nothing about this. Besides its theoretical significance within psychology, this question has practical implications for industries where colour choice is important. A study is reported into that most ubiquitous of activities, selecting a paint colour for the home. This used a retrospective method supported by qualitative data analysis (NVivo) in which participants described their process of colour selection. The results indicate a process that is far from uniform, but one that consists of two essential stages. The first involves arriving at what we refer to as an affective specification of the qualities sought. Once constructed, this leads to the second stage of matching colour attributes to that specification. Selecting a wall colour emerges as a surprisingly complex process, and one that corresponds more closely to a search than to a simple affective choice. A parallel is drawn with decision research, particularly the field of naturalistic decision‐making. From participants' reports, colour selection also emerges as a process that women appear to understand better than men. © 2007 Wiley Periodicals, Inc. Col Res Appl, 33, 55–60, 2008     

Recognition of Complex Settings by Aggregating Atomic Scenes

This approach imitates human reasoning to enable flexible context recognition. Its usefulness is demonstrated by employing audio-signal processing to recognize several everyday situations.     

Self-service — but is it good to talk?

Drives to increase the volume of customers who use self-service channels are a common strategic goal. The promise of significant cost reduction is a tempting carrot. Couple this with the vision of customers benefiting from quick, effective and usable contact channels, avoiding human error (except perhaps their own!) or potential frustration at being passed around to an ‘appropriate’ contact centre advisor is a very worthy vision … but is it as simple as this? In this discussion paper the authors speculate that self-service, while potentially being a revenue-saving opportunity, could also erode customer satisfaction and loyalty. Self-service doubtless appeals to some customers, but is it what all customers want? Do organisations understand enough about customer experience to enable them to build successful self-service channels, i.e. those that are useful, usable and used by customers? Do businesses really want to lose the opportunity to actually talk to customers and gain insight and knowledge about them? What impact will increased levels of self-service have on more traditional channels, such as customer contact centres? This paper also discusses evidence that self-service can actually serve to increase communication between organisations and customers across multiple channels. For many organisations, the Internet has actually resulted in more calls to the contact centre, not less. The seductive promise of self-service to cut costs through reducing call volumes may be an empty one.