Meshless simulation of equilibrium swelling/deswelling of pH‐sensitive hydrogels

Hydrogels have been widely used in microelectromechanical systems (MEMS) and Bio‐MEMS devices. In this article, the equilibrium swelling/deswelling of the pH‐stimulus cylindrical hydrogel in the microchannel is studied and simulated by the meshless method. The multi‐field coupling model, called multi‐effect‐coupling pH‐stimulus (MECpH) model, is presented and used to describe the chemical field, electric field, and the mechanical field involved in the problem. The partial differential equations (PDEs) describing these three fields are either nonlinear or coupled together. This multi‐field coupling and high nonlinear characteristics produce difficulties for the conventional numerical methods (e.g., the finite element method or the finite difference method), so an alternative—meshless method is developed to discretize the PDEs, and the efficient iteration technique is adopted to solve the nonlinear problem. The computational results for the swelling/deswelling diameter of the hydrogel under the different pH values are firstly compared with experimental results, and they have a good agreement. The influences of other parameters on the mechanical properties of the hydrogel are also investigated in detail. It is shown that the multi‐field coupling model and the developed meshless method are efficient, stable, and accurate for simulation of the properties of the stimuli‐sensitive hydrogel. © 2005 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 326–337, 2006     

Resistivity exponent of two-dimensional lattice animals

We calculate the average resistanceR(L) of lattice animals spanningL×L cells on the square lattice using exact and Monte Carlo methods. The dynamical resistivity exponent, defined asR(L) L , is found to be =1.36±0.07. This contradicts the Alexander-Orbach conjecture, which predicts 0.8. Our value for differs from earlier measurements of this quantity by other methods yielding =1.17±0.05 and 1.22±0.08 by Havlin et al.On leave from the Institute of Theoretical Physics, Chinese Academy of Sciences, Beijing, China.     

Development of a new analytical method for the evaluation of hazards from slow decomposition of waste streams and process solutions

A wide variety of liquid streams are generated as part of the process research and development effort. Frequently these streams are drummed off, either as intermediates that must be held for processing or as wastes that must be sent off-site for disposal. Because of the long times and low concentrations often involved, current thermoanalytical techniques were inadequate to detect the potential of streams to generate gas. A custom-made apparatus, the gas evolution test cell (GETC), was developed in the Merck Research Laboratories to measure the gas generation potential of various streams under precisely defined conditions, is the key innovation for the development of a quantitative gas-generation test method.     

Novel silver(I)-organic coordination polymers: conversion of extended structures in the solid state as driven by argentophilic interactions

Structurally distinct coordination polymers [Ag(bpp)]ClO4 1 and [Ag(bpp)]PF6 2 [bpp = 1,3-bis(4-pyridyl)propane] have been assembled; the conversion of 1 into 2 on treatment with NaPF6 is driven by argentophilic interactions and is the first such transformation reported for silver(I)-organic coordination polymers.     

Formation of a tetranuclear copper (II) cluster assembled by metal-assisted hydrolysis and desulfurization of bis(3,5-dimethylpyrazolyl)methylphosphine sulfide, MeP(S)(3,5-Me2Pz)2

The reaction of methylphosphine sulfide, MeP(S)(3,5-Me2Pz)2, 1, with anhydrous CuCl2 affords a tetranuclear copper cluster[Cu2Cl2(3,5-Me2Pz)3(MePO3)]2, 2, and a dinuclear compound Cu2Cl4(3,5-Me2Pz)4, 3. This reaction involves a metal-assisted desulfurization along with concomitant hydrolysis of P-N bonds. The X-ray structures of 1-3 have been determined, and the crystal parameters for these are the following. 1: space group = C2/c, a = 15.2552(1) A, b = 8.7364(2) A, c = 21.4490(3) A, beta = 93.349(1) degrees, V = 2853.74(8) A3, and Z = 8. 2: space group = P2(1)/n, a = 12.5964(4) A, b = 15.7773(4) A, c = 13.9781(4) A, beta = 116.6280(10) degrees, V = 2483.32(12) A3, and Z = 2. 3: space group = P2(1)/c, a = 8.7137(8) A, b = 13.5493(14) A, c = 11.8847(12) A, beta = 106.179(2) degrees, V = 1347.6(2) A3, and Z = 2. The structure of 2 shows that it comprises two dinuclear copper cores bridged together by two tripodal methylphosphinate, MePO3, ligands. 2 is weakly antiferromagnetically coupled, as revealed by variable temperature magnetic susceptibility measurements.     

Reactions de photoaddition de benzo[b]selenophenes avec l'acetylene dicarboxylate de methyle et avec le dichloro-1,2 ethylene

Photoirradiated in presence of acetophenone, benzo[b]selenophene and its 3-methyl derivative add to dimethyl acetylenedicarboxylate. In each ease, the primary reaction product is unstable and has not been isolated. Photoexeited in its triplet state (the energy of which is in the neighbourhood of 69 $\text{kcal}\text{mole}$) benzo[b]selenophene and its 2- and 3-methyl, 2,3 dimethyl, 3 acetoxy and 2-methyl-3-acetoxy derivatives add to 1,2 dichloroethylene leading to cyclobutanes. Neither cyclo-addition occurs in absence of photosensitiser. Single-crystal X-ray analysis gave the structures of the two adducts of 3-acetoxybenzo[b]selenophene with trans-1,2-dichloroethylene. In both compounds the chlorine atoms are trans.     

A vacuum ultraviolet photoionization mass spectrometric study of acetone

The photoionization and dissociative photoionization of acetone have been studied at the photon energy range of 8-20 eV. Photoionization efficiency spectra for ions CH3COCH3+, CH3+, C2H3+, C3H3+, C3H5+, CH(2-)CO+, CH3CO+, C3H4O+, and CH3COCH2+ have been measured. In addition, the energetics of the dissociative photoionization has been examined by ab initio Gaussian-3 (G3) calculations. The computational results are useful in establishing the dissociation channels near the ionization thresholds. With the help of G3 results, the dissociation channels for the formation of the fragment ions CH3CO+, CH2CO+, CH3+, C3H3+, and CH3COCH2+ have been established. The G3 results are in fair to excellent agreement with the experimental data.     

3-(Triethoxysilyl)propionitrile sol-gel coating

3-(Triethoxysilyl)propionitrile (TESPN) sol-gel has been prepared under different conditions. It was employed for coating the surfaces of quartz and aluminum. Infrared (IR) and Raman spectra of TESPN and TESPN sol-gels have been recorded in the study of the sol-gel process. Transmission and reflection absorption IR (RAIR) spectra of TESPN sol-gel coated quartz and aluminum have also been collected for better understanding the film formation on the substrate surfaces. Spectra collected at different temperatures indicated that the silane film on quartz decomposes at 700 degrees C. Results from thermal gravimetric analysis (TGA) supported this result. Based on the group frequencies and the spectral behavior in different states, some vibrational modes were assigned to the observed bands. The anticorrosion behavior of the sol-gel coated aluminum in comparison with the uncoated metal was evaluated by measuring the potentiodynamic polarization and electrochemical impedance spectra (EIS).     

Zur Kenntnis der μ-Peroxo-bis(pentacyanokobaltate(III)). Neuartige Darstellung,Beschreibung eines μ-Hydroperoxo-komplexes K5[Co2OOH(CN)10] · 2 H2O und eines μ-Peroxo-Carbonato-Komplexes K6[Co2CO4(CN)10] · 2 H2O

Investigations on Metal Catalysts. XXII. Chemisorption of Hydrogen on Pt? Ru and η-Al₂O₃ Supported Pt? Ru Catalysts Measurements of the H₂ chemisorption by volumetric method were carried out on several series of Pt? Ru and η-Al₂O₃ supported Pt? Ru catalysts. Addition of Ru to Pt and vice versa effects a remarkable influence on the sorption behaviour of the starting samples. For mixtures of carrier-free catalysts and η-Al₂O₃ as well as Pt? Ru/η-Al₂O₃ catalysts a hydrogen-spillover effect was found.