Influence of Reaction Parameters on the Hydrogenolysis of Hydroxymatairesinol Over Carbon Nanofibre Supported Palladium Catalysts

The density functional theory (DFT/B3LYP) calculations were applied to investigate the interaction of a Pt₆ particle with the ZSM-5 zeolite framework. The electronic structure of the metal particle is strongly affected by the interaction with basic framework oxygens and acid sites of the zeolite support. Adsorption on basic sites (E_ads = 6 kcal/mol) favors the formation of the electron enriched metal cluster. Interaction of the platinum cluster with the acid site characterized by stabilization energy of 47 kcal/mol results in oxidation of the metal particle and suppression of Brønsted acidity of the support. The hypothesis is put forward that the oxidized platinum particle can function as an active site for the alkane isomerisation on platinum supported high silica zeolites.     

多组分间歇精馏工艺计算探讨

介绍用“微元时段”计算多组分间歇精馏的方法。     

Simulation-based sequential analysis of Markov switching stochastic volatility models

We propose a simulation-based algorithm for inference in stochastic volatility models with possible regime switching in which the regime state is governed by a first-order Markov process. Using auxiliary particle filters we developed a strategy to sequentially learn about states and parameters of the model. The methodology is tested against a synthetic time series and validated with a real financial time series: the IBOVESPA stock index (São Paulo Stock Exchange).     

Effect of hydrogen spillover on the hydrogenation of 1-hexene over diluted carbon molecular sieve supported Pt catalyst

Pt supported on a carbon molecular sieve (Pt/CMS) was prepared by pyrolysis of polyfurfuryl alcohol containing pre-reduced Pt particles. The catalysts were characterized by hydrogen chemisorption, XRD, N₂ adsorption/desorption and TEM. Hydrogen chemisorption showed that not all the Pt particles were exposed to H₂ molecules. Oxidation treatment made Pt particles more accessible to H₂. Catalyst activity was evaluated by hydrogenation of 1-hexene. Hydrogen spillover was demonstrated by diluting Pt/CMS with activated carbon or hydrogen type zeolite Y. The initial conversion of 1-hexene was increased from 86.5% to 98.5% and to 100% when Pt/CMS was diluted with activated carbon and hydrogen type zeolite, respectively. The high initial conversion was sustained for 6 h in the presence of diluents while the conversion decreased quickly for Pt/CMS alone.     

Double auction mechanisms on Markovian networks

This paper studies the double auction (DA) mechanism in Ma and Li (2011) for a class of exchange economies. We extend their results to more general cases where sellers and buyers each form a complex time non-homogeneous Markovian chain, as specified in Ram et al. (2009), in the communication of their private information. A numerical example is also provided. Both bubbles and crashes are observed in the example, consistent with results of our theorems. Our example and theoretical results provide new evidence that a DA mechanism, widely utilized in real exchange markets, may contribute to the excess volatility identified in Shiller (1981) and LeRoy and Porter (1981).     

The flexible surface or the rigid surface?

In this paper we discuss aspects of the concept described by Somorjai as the flexible surface, and whether some surfaces can be considered to be inflexible, or rigid. We present STM results which appear to manifest both types of behaviour for surfaces, depending on their oxidation state. Copper metal surfaces can be classed as flexible, showing facile reconstruction in the presence of oxygen, whereas an oxidised Pd(110) surface shows no apparent diffusivity, even at 500 K. We go on to show data for a bulk oxide which indicates that sub-stoichiometry in the sample induces an element of flexibility in the surface, especially during reaction with oxygen. Finally, this is related to the direct observation of spillover on model catalysts of Pd nanoparticles supported on TiO₂. It must be recognised that flexibility relates to surface diffusivity and hence length- and time-scales. Surfaces which appear inflexible at short times may be flexible at long times. In relation to catalysis then, surface flexibility depends on the relationship between the time-scale of diffusive events on the surface and the catalytic turnover number.     

On a Mixture GARCH Time‐Series Model

Abstract. Recently, there has been a lot of interest in modelling real data with a heavy‐tailed distribution. A popular candidate is the so‐called generalized autoregressive conditional heteroscedastic (GARCH) model. Unfortunately, the tails of GARCH models are not thick enough in some applications. In this paper, we propose a mixture generalized autoregressive conditional heteroscedastic (MGARCH) model. The stationarity conditions and the tail behaviour of the MGARCH model are studied. It is shown that MGARCH models have tails thicker than those of the associated GARCH models. Therefore, the MGARCH models are more capable of capturing the heavy‐tailed features in real data. Some real examples illustrate the results.     

Volatility of Simulated High-Level Nuclear Waste Glass by Thermogravimetric Analysis

The volatilities of simulated, high-level nuclear waste glasses have been measured using thermogravimetric analysis (TGA). These volatilities were measured in the region of the glass transition temperature ( T _g) of the waste glasses, which is between 450° and 500°C. These data were obtained because the Waste Acceptance Preliminary Specifications require that no foreign materials be released into the canistered waste form upon heating of the canister to this glass transition temperature. In fact, all of the waste glass samples studied actually exhibited a net weight gain upon heating. This weight gain was shown to be due to oxygen uptake through oxidation of FeO. Powdered glass samples did show a small weight loss which was smaller in magnitude than the weight gain and was associated with water desorption. No true volatility was detected to the level of sensitivity (0.01 wt%) of the TGA instrument. This converts to a sensitivity of 330 μ g/m² of glass surface and a corresponding minimum value of 41 mg of volatiles for each Defense Waste Processing Facility conistered waste form. TGA experiments carried out at higher temperatures (800°C) revealed that organic concentrations in the waste glasses are less than 0.01 wt%. Thus, these results demonstrate that the Defense Waste Processing Facility will be able to comply with the Waste Acceptance Preliminary Specifications on the exclusion of foreign materials from the canistered waste forms, after exposure to T _g.     

Aromatization of n-butane over new LD-HBS catalysts. Effect of the gallium oxide support

It is shown that even pure quartz, other silicas or aluminas can enhance the aromatization activity of a ZSM-5 zeolite. Incorporation of gallium oxide onto these supports increases further the production of aromatics. The use of supported gallium oxide co-catalyst obtained by co-evaporation of a colloidal silica and a Ga salt has led to extremely high aromatization performance for the hybrid catalyst.     

基于R软件的金融资产收益波动率建模分析

金融资产收益波动率是金融计量分析的核心议题,该文考虑对其建模分析的计算机实现问题。利用R软件的强大计算与绘图功能,给出金融资产收益波动率各个模型的模拟实现以及对实际金融市场数据的各种建模分析。