Quantum chemical studies of Li cation binding to polyalkyloxides

A quantum chemical study of the binding of Li⁺ cation to polyalkyloxides has been carried out. The lithium cation interaction with three polyalkyloxides (polyethylene oxide (PEO), polytrimethylene oxide (PTMO), and polypropylene oxide (PPO)) has been investigated using ab initio molecular orbital theory at the HF/6-31G^* level with molecular models for the polymers. Coordination by one to six oxygens was considered. In addition, higher level calculations were carried out using G3(MP2) theory for coordination of Li⁺ by one oxygen. For coordination of lithium by one oxygen, the binding energy ordering is PTMO>PPO>PEO, with PTMO having the largest lithium cation affinity. The same ordering is found for larger coordination numbers with the exception of coordination by six oxygens, where the ordering changes due to the steric interactions.     

A study of CaCO3 fouling with a microscopic imaging technique

The present study introduces a new experimental method to visualize the fouling process of CaCO₃. A mini-channel heat exchanger system with a microscopic imaging technique was developed for real-time visualization of the fouling process. The present study discussed how scale started initially, how scale formed thick layers, and how a small crystal grew into a large one, touching the adjacent one. Detail microscopic images of scale crystals and corresponding fouling resistances were obtained over the entire fouling process. The microscopic observation indicated that the fouling process could be divided into three stages: an induction period, a period of uniform generation of nuclei, and a period of uniform growth of scale. Sudden appearance of numerous small nuclei indicated the end of the induction period, a key event before the rapid increase in the fouling resistance. The present experimental method using microscopic images of the wet fouling process provides a valuable insight on the fouling mechanism.     

PHYSICS-BASED SIMULATION OF HIGH SPEED MACHINING

Computer simulation of high speed machining processes can provide a unique insight and reduce the number of design iterations required to advance and optimize the process. Predictive modeling of high speed machining of exotic materials has been hindered by the nonlinear behavior of this type of materials at extremely high strain, strain rate, and temperatures. This paper presents a physics-based modeling technology that includes the change in the material constitutive equation and the friction characterization at cutting speeds up to 400 m min^-1. The dependence of the accuracy of the predicted parameters, such as the chip formation on cutting forces, chip/tool/workpiece interface temperature, stress and strain distributions are also discussed. The fundamentals of metal cutting were utilized to understand the effect of parameter changes in regimes that are outside current empirical knowledge databases.     

Texture Changes During the Ripening of Port Salut Argentino Cheese in 2 Sampling Zones

ABSTRACT: Texture changes during ripening of Port Salut Argentino cheese for different sampling zones were studied. Compression relaxation tests were performed and results were analyzed using both Maxwellian and Peleg's models. Elastic equilibrium modulus obtained from the Maxwellian model decreased from 1.22 to 0.11 10⁴Pa during ripening. The constants derived from Peleg's model, k₁ and k₂, diminished with ripening time from 1.18 to 0.71 min and from 1.27 to 1.12, respectively. Asymptotic equilibrium modulus from Peleg's model decreased from 0.95 to 0.07 10⁴Pa during ripening. Rate parameters derived from a 1st order kinetics applied to both equilibrium moduli showed that the decrease was faster in the external zone (0.0846 d⁻¹) than in the central zone (0.0368 d⁻¹). The correlation between equilibrium moduli, salt concentration, moisture content, and maturation indexes was obtained with a determination coefficient of 0.76.     

Advanced Method for Single Crystal Casting of Turbine Blades for Gas Turbine Engines and Plants

A method for fabricating single crystal blades that combines the techniques of seed crystals and selection is suggested. The method realizes the advantages of both techniques, i.e., the high structural perfection and the possibility of fabricating single crystals with specified spatial orientation. Metallographic and x-ray diffraction analyses are used to study the processes of nucleation of the single crystal structure of blade castings fabricated from high-temperature nickel alloys by the method of selection and seed crystals. A commercial process for fabricating cast single crystal turbine blades by the new method is suggested.     

Chemical leaching and magnetic properties of non-equilibrium Al(Co–Cu) powders produced by rod milling

We report upon the chemical leaching and magnetic properties of nanoscale crystalline Al_0.6(Co₂₅Cu₇₅)_0.4 alloy powders produced by rod milling. X-Ray diffractometry (XRD), transmission electron microscopy, differential scanning calorimetry, vibrating sample magnetometry, and superconducting quantum interference device magnetometry were used to characterize the as-milled and leached specimens. After 400 h of milling, only the b.c.c. phase of the intermetallic compound γ-Al_3.892Cu_6.10808 was detected by XRD. After annealing the leached specimen at 600 °C for 1 h, the nanoscale crystalline phase was transformed into the f.c.c. Cu phase, and this was accompanied by a change in the magnetic properties. The peaks of the magnetization shifted towards lower temperature with increasing external field. The temperature behavior at T_f (45 K) for direct current (d.c.) magnetic susceptibility measurements was quite different for field cooling and zero-field cooling. After cooling the leached specimen from 800 °C, magnetization increased gradually.     

International legislation on trace elements as contaminants in food: a review

Environmental contaminants such as trace elements may be present in all foods. Foods, raw materials and ingredients for food production are to an increasing extent traded across borders. Hence, there is a need for international legislation on trace elements as contaminants in food. In 1961, the FAO and WHO established the Codex Alimentarius to elaborate international food legislation. Contaminants in food are handled by the Codex Committee for Food Additives and Contaminants (CCFAC). The Codex Alimentarius system for developing legislation concerning trace elements as contaminants in food is based upon the Codex General Standard for Contaminants and Toxins in Food (GSCTF). By October 2001, the principles for setting maximum limits (MLs) for contaminants in food are agreed, and work is in progress on MLs for trace elements such as lead and cadmium in the various food categories. The status for the proposals is presented and discussed. The EU Regulation 466/2001 of 8 March 2001 sets MLs for lead and cadmium in various foods. This regulation will apply from 5 April 2002. The EU regulation is more detailed but similar to the Codex draft standards for lead and cadmium in food. In future, legislators and administrators in the Codex and EU and analytical chemists will discuss how to use more and better analytical data as risk-management tools to protect public health. Trace elements' speciation is an important aspect of this discussion.     

Modeling of Calcium Chloride and Pectin Methylesterase Prefreezing Treatments of Strawberries and Jams

ABSTRACT: :
Different calcium chloride (CaCl₂) and pectin methylesterase (PME) prefreezing treatments in a vacuum were used to clarify the most effective prefreezing factors for strawberries and traditional jams. Fractional factorial design and modeling were used. CaCl₂ had the greatest effect on the majority of the 15 studied responses ( p < 0.001). The pretreatment time should be short (about 5 to 10 min), the temperature low (less than 20 °C), the vacuum level high (pressure less than 10 kPa), the CaCl₂ concentration moderate (about 1%) and the dosage of PME comparatively low (about 50 to 100 nkat/g) in order to yield high quality frozen strawberries for jam making.