硫酸根型阴离子交换树脂法改善PAC絮凝性能的研究

体系以聚合氯化铝溶液为原料，以硫酸型强碱性阴离子交换树脂为载体，进行离子交换反应。结果表明，在保持氧化铝含量基本不变的情况下，能有效地提高聚合铝的碱化度。同时生成含ＳＯ４＾２－的聚合氯化铝，实验证明它的絮凝效果优于了聚合氯化铝。     

Identification of phenyl-substituted polycyclic aromatic compounds in ring furnace gases using GC-MS and GC-AED

Summary The ring furnace baking process is an intermediate step in the production of graphite electrodes. In this process coal tar pitch is pyrolized to form amorphous carbon and volatile aromatic and polycyclic aromatic compounds (PACs). These gaseous ring furnace emissions were analysed by GC-MS and GC-AED. As a result of the pyrolytic reactions taking place, several phenyl-substituted PACs are generated, which were identified by their chromatographic retention indices and mass spectra. Pure reference compounds were analysed for verification if available. A number of phenyl-PACs are reported to be present in coal tar-related material, including phenylpyridines and phenyldibenzofurans previously unreported. A formation scheme for phenyl-dibenzofurans on the basis of a radical mechanism is proposed. Dedicated to Prof. Dr. Wolfgang Meyer zu Reckendorf, Münster, on the occasion of his 65th birthday. Presented at the 21^st ISC held in Stuttgart, Germany, 15^th–20^th September, 1996     

Perturbed Angular Correlation Study of Magnetic and Electric Hyperfine Interactions at 111Cd in GdNi2 and SmNi2

The magnetic hyperfine field B _hf of the closed-shell probe nucleus ¹¹¹Cd in the C15 Laves phase RNi₂ (R= Gd, Sm) has been investigated as a function of temperature by perturbed angular correlation (PAC) spectroscopy. The saturation magnetic hyperfine fields at 10 K are B _hf=7.7(2) and 3.9(1) T for GdNi₂ and SmNi₂, respectively. Although the probe nucleus resides on the cubic rare-earth site, a strong axially symmetric electric quadrupole interaction (QI) is observed in the paramagnetic phase at T300 K. The possible relation of this unexpected QI to the structural instability of RNi₂ is discussed.     

Monte Carlo Simulations of PAC-Spectra as a General Approach to Dynamic Interactions

Time Dependent Perturbed Angular Correlations of -rays (PAC) can be used to study hyperfine interactions of a dynamic nature. However, the exact effect of the dynamic interaction on the PAC-spectrum is sometimes difficult to derive analytically. A new approach based on Monte Carlo simulations is therefore suggested, here implemented as a Fortran 90 program for simulating PAC spectra of dynamic electric field gradients of any origin. The program is designed for the most common experimental condition where the intermediate level has spin 5/2, but the approach can equally well be used for other spin states. Codes for 4 different situations have been developed: (1) Rotational diffusion by jumps; used as a test case. (2) Jumps between two states with different electric field gradients, different lifetimes and different orientations of the electric field gradient principal axes. (3) Relaxation of one state to another. (4) Molecules adhering to a surface with random rotational jumps around the axis perpendicular to the surface. To illustrate how this approach can be used to improve data-interpretation, previously published data on ^111mCd-plastocyanin and ¹¹¹Ag-plastocyanin are re-considered. The strength of this novel approach is its simplicity and generality so that other dynamic processes can easily be included by only adding new program units describing the random process behind the dynamics. The program is hereby made publicly available.     

Experimental and Theoretical Study of MTBE Adsorption from Polluted Water on GAC and PAC in Continuous Process

Methyl tertiary butyl ether (MTBE) is an organic compound thatis used to increase the gasoline octane number. At the beginning of 1980s, by discovering the undesirable effects of tetra ethyl lead usage in fuel, MTBE began to be used worldwide. But gradually the undesirable effects of MTBE on environment had been revealed. Adsorption is the most conventional and economical technology for MTBE removal from polluted water. In this research, some experiments have been done for studying the adsorption of MTBE on different solid adsorbent in continuous processes. In continuous experiments, the water polluted with known initial MTBE concentration passes through an adsorption column containing two kinds of adsorbent including granular activated carbon (GAC), powdered activated carbon (PAC). By measuring MTBE concentration in exit flow at different times the effect of different operating parameters such as temperature, pH, and flow rate have been studied and the optimum condition have been determined. The batch experimental results have been used to calculate the constant parameters of Langmuir adsorption isotherm equations. A dynamic simulation of MTBE adsorption on activated carbon in an adsorption column has been proposed. The comparison of the experimental data with the values given by the proposed model for similar operating conditions, verifies the accuracy of the proposed mathematical model.      

Probing the Coordination Environment of the Human Copper Chaperone HAH1: Characterization of HgII‐Bridged Homodimeric Species in Solution

Although metal ion homeostasis in cells is often mediated through metallochaperones, there are opportunities for toxic metals to be sequestered through the existing transport apparatus. Proper trafficking of Cu^I in human cells is partially achieved through complexation by HAH1, the human metallochaperone responsible for copper delivery to the Wilson and Menkes ATPase located in the trans‐Golgi apparatus. In addition to binding copper, HAH1 strongly complexes Hg^II, with the X‐ray structure of this complex previously described. It is important to clarify the solution behavior of these systems and, therefore, the binding of Hg^II to HAH1 was probed over the pH range 7.5 to 9.4 using ¹⁹⁹Hg NMR, ^199mHg PAC and UV–visible spectroscopies. The metal‐dependent protein association over this pH range was examined using analytical gel‐filtration. It can be concluded that at pH 7.5, Hg^II is bound to a monomeric HAH1 as a two coordinate, linear complex (HgS₂), like the Hg^II–Atx1 X‐ray structure (PDB ID: 1CC8). At pH 9.4, Hg^II promotes HAH1 association, leading to formation of HgS₃ and HgS₄ complexes, which are in exchange on the μs–ns time scale. Thus, structures that may represent central intermediates in the process of metal ion transfer, as well as their exchange kinetics have been characterized.     

FIR Volterra kernel neural models and PAC learning

The probably approximately correct (PAC) learning theory creates a framework to assess the learning properties of static models for which the data are assumed to be independently and identically distributed (i.i.d.). The present article first extends the idea of PAC learning to cover the learning of modeling tasks with m‐dependent sequences of data. The data are assumed to be marginally distributed according to a fixed arbitrary probability. The resulting framework is then applied to evaluate learning of Volterra Kernel FIR models. © 2002 Wiley Periodicals, Inc.     

Treatment of pulp and paper mill wastewaters with poly aluminium chloride and bagasse fly ash

The present study deals with the use of poly aluminium chloride (PAC) as a coagulant and bagasse fly ash (BFA), which is generated in sugar mills, as an adsorbent for the removal of chemical oxygen demand (COD) and colour of pulp and paper mill effluents. Under optimal conditions of pH 3 and initial PAC dosage of 3 g/l, about 80% COD removal and 90% colour removal were obtained. The optimal conditions for the adsorptive removal of COD and colour with BFA were pH 4 and BFA dosage of 2 g/l. Under these conditions, COD and colour removal were, respectively, 50 and 55%. Adsorptive removal of COD by BFA followed second-order kinetics. Intra-particle diffusion was found to be rate controlling. Freundlich and Langmuir adsorption isotherms were found to fit the equilibrium adsorption data with BFA. Two-stage treatment using PAC (3 g/l) as a coagulant in the first stage and BFA (2 g/l) as an adsorbent in the second stage gave the combined COD and colour removal of nearly 87 and 95%, respectively, for different effluents without any pH adjustment. Two-stage adsorptive treatment using BFA (2 g/l) in both the stages gave a combined COD and colour removal of about 70%. The sludge obtained can be dewatered by centri-clarifiers, dried, briquetted and incinerated to recover its energy content.     

Using near-infrared process analysis to study gas-solid adsorption process as well as its data treatment based on artificial neural network and partial least squares

This paper demonstrates the application of near-infrared (NIR) process analysis to study gas-solid adsorption process non-invasively: its experimental setup, data treatment, and potentials as a convenient tool to investigate the gas-solid adsorption process. The experimental setup includes a differential adsorption bed (DAB) monitored by a NIR spectrometer via an optical fiber probe, which makes it convenient and reliable to construct adsorption mass-transfer models. A chemometrics strategy based on back propagation-artificial neural network (BP-ANN) and partial least squares (PLS) has been developed to treat NIR spectra collected during the adsorption process because of the obvious nonlinearity in concentration prediction. This nonlinear problem results from the great concentration variation of the adsorbate adsorbed by the adsorbent during the whole adsorption process, the extraordinarily low concentration of the adsorbed adsorbate at the beginning of the process, and probably NIR distinction between the adsorbate on the first adsorption layer at the beginning of the process and that on the other layers afterward. With the strategy, NIR spectra are pretreated with PLS for data compression and noise reduction, and then a BP-ANN is built as the nonlinear calibration model. As compared with linear calibration algorithm, our strategy has the higher predication ability for the whole adsorption process, even with less calibration samples. Finally, as an example the kinetics of aniline-silica gel adsorption process has been studied through the experimental setup and chemometrics strategy.