Study on Phenol Compounds Using Multiple Regression and Neural Network Methods

In this paper, the molecular connectivity indices and the electronic charge parameters of forty-eight phenol compounds nave been calculated. and applied for studying the relationship between partition coefficients and structure of phenol compounds. The results demonstrate that the properties of compounds can be described better with selective parameters, and the results obtained by neural network are superior to that by multiplle regression.

Computer-assisted automatic peak recognition and result evaluation for analysis of chlorinated hydrocarbons in environmental samples

A data manipulation method has been developed for automatic peak recognition and result evaluation in the analysis of organic chlorinated hydrocarbons with dual-column gas chromatography. Based on the retention times of two internal standards, pentachlorotoluene and decachlorobiphenyl, the retention times of chlorinated hydrocarbons can be calibrated automatically and accurately. It is very convenient to identify the peaks by comparing the retention times of samples with the calibrated retention times calculated from the relative retention indices of standards. Meanwhile, with a suggested two-step evaluation method the evaluation coefficients and the suitable quantitative results of each component can be automatically achieved for practical samples in an analytical system using two columns with different polarities and two internal standards. (C) 2002 Elsevier Science B.V. All rights reserved.

Synthesis and perfection evaluation of NaA zeolite membrane

The synthesis of NaA zeolite membrane on a porous alpha -Al2O3 support from clear solution and the evaluation of the perfection of the as-synthesized membrane by gas permeation were investigated. When an unseeded support was used, the NaA zeolite began to transform into other types of zeolites before a continuous NaA zeolite membrane formed. When the support was coated with nucleation seeds, not only the formation of NaA zeolite on the support surface was accelerated, but also the transformation of NaA zeolite into other types of zeolites was inhibited. A continuous NaA zeolite membrane can be formed. Perfection evaluation indicated that the NaA zeolite membrane with the synthesis time of 3 h showed the best perfection after a one-stage synthesis. The perfection of NaA zeolite membrane can be improved by employing the multi-stage synthesis method. The NaA zeolite membrane with a synthesis time of 2 h after a two-stage synthesis showed the best gas permeation performance, The permselectivity of H-2/n-C4H10 and O-2/N-2 were 19.1 and 1.8, respectively, higher than those of the corresponding Knudsen diffusion selectivity of 5.39 and 0.94, which showed the molecular sieving effect of NaA zeolite. However, the permeation of n-C4H10 also indicated that the NaA zeolite membrane had certain defects, the diameter of which were larger than the NaA zeolite channels. (C) 2001 Elsevier Science B.V. All rights reserved.

CO hydrogenation to light alkenes over Mn/Fe catalysts prepared by coprecipitation and sol-gel methods

CO hydrogenation to light alkenes was carried out on manganese promoted iron catalysts prepared by coprecipitation and sol-gel techniques. Addition of manganese in the range of 1-4 mol.% by means of coprecipitation could improve notably the percentage of C-2 (=) similar to C-4 (=) in the products, but it was not so efficient when the sol-gel method was employed. XRD and H-2-TPR measurements showed that the catalyst samples giving high C-2 (=) similar to C-4 (=) yields possessed ultra. ne particles in the form of pure alpha-(Fe1-xMnx)(2)O-3, and high quality in lowering the reduction temperature of the iron oxide. Furthermore, these samples displayed deep extent of carburization and different surface procedures to the others in the tests of Temperature Programmed Surface Carburization (TPSC). The different surface procedures of these samples were considered to have close relationship with the evolving of surface oxygen. It was also suggested that for the catalysts with high C-2 (=) similar to C-4 (=) yields, the turnover rate of the active site could be kept at a relatively high level due to the improved reducing and carburizing capabilities. Consequently, there would be a large number of sites for CO adsorption/dissociation and an enhanced carburization environment on the catalyst surface, so that the process of hydrogenation could be suppressed relatively to a low level. As a result, the percentage of the light alkenes in the products could be raised.