Effects of a Nd—Fe—B magnetic filler on the crystallization of poly(phenylene sulfide)

The crystallization of poly(phenylene sulfide) (PPS) in a polymer–magnetic Nd—Fe—B powder suspension was studied. Isothermal crystallization behavior was analyzed by way of differential scanning calorimetry, and the kinetics were described via the Avrami equation. The Avrami parameters and the crystallization times were strongly affected by both the particle size and the presence of a coupling agent coated on the filler particles. The small Nd—Fe—B particles exhibited long induction and half‐times, whereas the large particles tended to have short crystallization times. Particles ranging from 38 to 150 μ appeared to have similar crystallization times and to have no significant change in the value of Avrami index with melt crystallization temperature. As a result of these analyses, the dynamic mechanical properties were determined to correlate the fundamental polymer crystallization characteristics and the physical properties of the PPS binder. The enhancement of the wetting of the filler to the binder was promoted through the coupling agent, as confirmed by dynamic mechanical testing performed on the samples. The storage modulus typically decreased because of the presence of the uncoated small particles. Conversely, the loss modulus was enhanced because of the presence of the coated small particles in the PPS binder. © 2002 Wiley Periodicals, Inc. J Appl Polym Sci 83: 1091–1102, 2002     

Screen‐printed biosensor for allergens

Allergen levels in indoor environments, leading to many diseases, eg asthma, rhinitis and conjunctivitis, affect a large and increasing fraction of the population. A quite effective and inexpensive method of a rough but very rapid overall assessment of total allergen level in the environment has been developed. The method involved estimation of protein in allergen extracts by screen‐printed electrodes using two different techniques. The biosensor comprised a rhodinised carbon working electrode, a silver/silver chloride reference electrode and a carbon counter electrode. In the first method the enzyme protease reacted with allergen protein to release amino acid, which produced hydrogen peroxide in the presence of amino acid oxidase. This was detected amperometrically. The second method used potassium bromide as electrolyte and the electrode was subjected to dual potential. Bromine, released due to electrolysis at higher potential, was consumed by the allergen protein at lower potential. In the first method, a unique technique was used to microencapsulate the enzyme protease and immobilise it on the surface of the electrode by in‐situ polymerisation to avoid contact with the amino acid oxidase. A total of seven allergens were tested and the results gave a good correlation with the standard protein measurement method. Environmental specimens from indoors, schools and workplaces can be evaluated for the aeroallergens produced by dust mites, animal hairs, cockroach debris, pollens, etc as a means of determining the exposure risk. Copyright © 2005 Society of Chemical Industry     

Development and simulation studies of an unsteady state biofilter model for the treatment of cyclic air emissions of an α‐pinene gas stream

This paper describes the development and simulation of an unsteady state biofilter model used to predict dynamic behaviour of cyclically‐operated biofilters and compares it with experimental results obtained from three, parallel, bench‐scale biofilters treating both periodically fluctuating concentrations and constant concentrations of an α‐pinene‐laden gas stream. The dynamic model, using kinetic parameters estimated from the constant concentration biofilter, was able to predict the performance of cyclic biofilters operating at short cycle periods (ie, in the order of minutes and hours). Steady state kinetic data from a constant concentration biofilter can be used to predict unsteady state biofilter operation. At a 24 h cycle period, the dynamic model compared well with experimental results. For long cycle periods (ie, hours and days), removal efficiency decreased after periods of non‐loading: the longer the period of non‐loading, the poorer the biofilter's performance at the re‐commencement of pollutant loading. At longer time scales the model did not effectively predict transient behaviour, as adsorption and changes in kinetic parameters were not accounted for. Modelling results showed that similar biofiltration performance for the cyclic and constant concentration biofiltration of α‐pinene is expected for biofilters operating solely in the first order kinetics regime. Poorer performance for cyclic biofilters following Monod kinetics spanning the entire kinetics range is expected as the cycle amplitude increases. The most important parameters affecting the performance of a cyclically‐operated biofilter with short cycle periods are: amplitude of cyclic fluctuations, C_{g, max}/C_g, relative value of the half‐saturation constant in the Monod expression, K_s, and effective diffusivity of α‐pinene in the biofilm, D_e. Copyright © 2005 Society of Chemical Industry     

Ultrasound‐activated Knoevenagel condensation of malononitrile with carbonylic compounds catalysed by alkaline‐doped saponites

α,β‐Unsaturated nitriles have been synthesized by Knoevenagel condensation of a carbonylic compound with malononitrile, assisted by sonochemical irradiation. Two alkaline‐promoted clays (Li⁺‐ and Cs⁺‐exchanged saponites) have been employed as catalysts. The influence of the carbonylic compound (benzaldehyde or cyclohexanone) and the use of a solvent on the catalytic activity have been studied. Remarkable increase in the conversion values has been found when the reaction is activated by ultrasound, as compared with the thermal activation. In this green, solvent‐free procedure, α,β‐unsaturated nitriles have been produced in very high yields (97%) when the Cs⁺‐saponite is used as catalyst. Copyright © 2004 Society of Chemical Industry     

锂离子电池正极材料锂锰氧化物的固相合成研究进展

阐述了固相合成反应的原理，综述了锂锰氧化物的几种固相合成方法，并着重介绍了熔融渍法，多步加热法，机械化学法和微波化学法等在锂锰氧化物合成中的研究进展。     

Material state remapping in computational solid mechanics

A computational procedure for remapping material state information from one finite element mesh to another is described. The procedure is useful in connection with evolving meshes for inelastic problems, as for example occur in the context of fracture simulation and adaptive mesh refinement. The proposed method is based on weak enforcement of equality between corresponding fields on the two meshes, where piecewise‐constant fields on both meshes are generalized from the quadrature‐point values. The essential algorithmic problem is that of calculating the volume partition of an arbitrary convex region with respect to a covering set of disjoint convex regions. Instead of geometrically resolving the associated intersections, the problem is herein approximated by a constrained optimization problem, which may be readily and efficiently solved computationally. This formulation is a main contribution of the paper. Computational examples are given that illustrate the effectiveness of the proposed procedure. Copyright © 2002 John Wiley & Sons, Ltd.     

A hybrid extended finite element/level set method for modeling phase transformations

A hybrid numerical method for modelling the evolution of sharp phase interfaces on fixed grids is presented. We focus attention on two‐dimensional solidification problems, where the temperature field evolves according to classical heat conduction in two subdomains separated by a moving freezing front. The enrichment strategies of the eXtended Finite Element Method (X‐FEM) are employed to represent the jump in the temperature gradient that governs the velocity of the phase boundary. A new approach with the X‐FEM is suggested for this class of problems whereby the partition of unity is constructed with C¹(Ω) polynomials and enriched with a C⁰(Ω) function. This approach leads to jumps in temperature gradient occurring only at the phase boundary, and is shown to significantly improve estimates for the front velocity. Temporal derivatives of the temperature field in the vicinity of the phase front are obtained with a projection that employs discontinuous enrichment. In conjunction with a finer finite difference grid, the Level Set method is used to represent the evolution of the phase interface. An iterative procedure is adopted to satisfy the constraints on the temperature field on the phase boundary. The robustness and utility of the method is demonstrated with several benchmark problems of phase transformation. Copyright © 2002 John Wiley & Sons, Ltd.     

A Composite Index of Compliance for Chronic In‐Center Hemodialysis Patients

We developed a composite compliance index as the sum of the compliance scores for interdialytic weight gain (IDWG), pre‐dialysis serum potassium and phosphorus concentrations (each scored from zero to 3, with 3 indicating the poorest compliance), and skipping hemodialysis sessions (scored from zero to 9, with 9 indicating the poorest compliance). We used this composite score to prospectively evaluate compliance in 25 prevalent hemodialysis patients over a period of 1 year. We then followed these patients for another 3.5 years. The patients studied were divided into two groups: group A (poor compliance) consisted of 9 subjects with composite score ≥ 9 (13.2 ± 3.2); group B (better compliance) consisted of 16 subjects with composite score < 9 (4.7 ± 1.8). Age, duration of hemodialysis, and frequency of diabetes mellitus did not differ between the groups. Group A contained higher fractions of subjects with history of alcoholism (66.7% vs 12.5%, p = 0.010), other substance addiction (44.4% vs 0%, p = 0.010), and severe psychosocial problems (88.9% vs 18.8%, p = 0.002). Mean survival from the beginning of observation, estimated by actuarial life‐table survival analysis, was 1.19 years in group A and 2.60 years in group B (p = 0.0265). A composite compliance index incorporating domains indicating adherence to diet, medications, and dialysis schedule identified other behavioral problems in poorly compliant patients. Hemodialysis patients characterized by this composite index as poorly compliant had shortened survival.     

Temperature effects on the mass flow rate in the SBI and similar heat‐release rate test equipment

In various medium‐to‐large‐scale fire test equipments like the ISO room corner test (RC), and more recently, the single burning item test (SBI) the mass flow rate measurement of the combustion gases plays a key role in the determination of the heat‐release rate and smoke‐production rate. With the knowledge of the velocity profile and the temperature of the flow, the mass flow rate is obtained by measuring the velocity on the axis of the duct. This is done by means of a bi‐directional probe based on the pitot principle. However, due to the variation of the mean temperature and the temperature gradient in any cross section of the duct, introduced by ever changing combustion gas temperatures, the velocity nor the density profile are constant in time. This paper examines the resulting uncertainty on the mass flow rate. Copyright © 2006 John Wiley & Sons, Ltd.