Theoretical study on the ClO/ClO- system electron-transfer reactivity by the golden-rule

The structures, properties and electron transfer reactivity of the ClO/ClO- coupling system are studied in this paper at ab initio (UHF and UMP2) levels and the Density Functional Theory (DFT: UB3LYP, UB3P86, UB3PW91) levels employing 6311 + G(3df) basis set and on the basis of the Golden-rule of the time-dependent perturbation theory. Investigations indicate that the results obtained using the UB3LYP method employing 6-311 + G(3df) basis set is in excellent agreement with the experiment. For this coupling system, six stable coupling modes have been found which correspond to six different encounter complexes and denote six different electron transfer mechanism: four O-O directly linked structures (one collinear: D-h, one anti-parallel: C-s, two twist: C-2) and two Cl-O linked structures (cis- and anti- C-s structures). The activation energies, the stabilization energies and the electronic coupling matrix elements have also been calculated for the electron transfer reactions via these six different mechanism at the UB3LYP/6-311 + G(3df) level, and then the electron transfer rates are determined at the same level. The most favorable coupling mode to the electron transfer is the anti-parallel mechanism. The averaged electron transfer rate is about 5.58 X 10(11) M-1 s(-1). It is also implied that the B3LYP method can give more reasonable results for the electron transfer reactivity of this system. (C) 2003 Elsevier B.V. All rights reserved.

Theoretical estimation of thermodynamic properties of the system PS/PPO on the basis of modified combining rule of Sanchez-Lacombe lattice fluid model

The three scaling parameters described in Sanchez-Lacombe lattice fluid theory (SLLFT), T*, P* and rho* of pure polystyrene (PS), pure poly(2,6-dimethyl-1,4-phenylene oxide) (PPO) and their mixtures are obtained by fitting corresponding experimental pressure volume-temperature data with equation-of-state of SLLFT. A modified combining rule in SLLFT used to match the volume per mer, v* of the PS/PPO mixtures was advanced and the enthalpy of mixing and Flory-Huggins (FH) interaction parameter were calculated using the new rule. It is found that the difference between the new rule and the old one presented by Sanchez and Lacombe is quite small in the calculation of the enthalpy of mixing and FH interaction parameter and the effect of volume-combining rule on the calculation of thermodynamic properties is much smaller than that of energy-combining rule. But the relative value of interaction parameter changes much due to the new volume-based combining rule. This effect can affect the position of phase diagram very much, which is reported elsewhere [Macromolecules 34 (2001) 6291]

环渤海花岗岩体地下油库建设的工程地质力学研究

As a kind of strategic resource，petroleum play an very important role in current social stability, economic development and state safety. Since 1993 China has turned from a net oil exporter into a net oil importer, the figure of imported oil increased from then on. In 2004 China's total energy consumption exceeded Japan’s, and ranked in the second place, just inferior to America. Today China is the world’s third-largest importing nation, accounting for 6% of world imports and 8% of world consumption. Comparing with other strategic petroleum reserve schemes, underground oil storage possess many advantages, such as security, economy, less pollution, save land, suited for strategic reserve and so on, so it is the most ideal form for strategic petroleum reserve. In the background of China Strategic Petroleum Reserve Program started just now, this paper choose Circum-Bo sea region as a study area, and do some system study on the underground oil storage caverns constructed in inter-large granite rock masses in Circum-Bo sea region. On the foundation of a great amount of information come from both home and abroad, firstly this paper analysed the principle, economy, cavern shape, profile dimension, and gain some cognizances and logos, as follows: ①Hard rock mass such as granite is the major rock, in which underground oil storage are constructed; ②Unlined underground oil storage caverns had been wide spread used as a sort of oil storage form abroad, there already exist a suit of skilled experience and technologies to prevent oil product from leaking; ③Compared with surface tanks, underground oil storage cavern possess predominance in economy clearly. In general, it will be more economical when the storage capacity exceed 50000m3. The quality of rock mass is the most important factor for underground storage cost, however such as hydrogeology, storage capacity, the number of storage galleries, the length, storage product, mechanical equipments, geographic location also influent the cost. In designed depth of the underground storage, the rock mass of Jinzhou mainly belong to class Ⅱ, but parts with dykes, clayization alteration, and dense joints are Ⅲ, Ⅳ; ④Now, there are few underground oil storages span more than 25m in both abroad and home. The examples of some ancient underground works and modern underground excavation with wide span surely give us many precious elicitations to construct more great unlined storage caverns, when the rock mass quality is good, cavern shape and construction method also are proper, it is quite possible to construct underground oil storage cavern with span more than 30m . The main axis orientation of Jinzhou underground oil storage cavern is NW direction, the cavern's elevation locate between -53msl and -76msl. The storage's total volume is about 3×106m3, composed of 8 parallel galleries with 950m length, the pillars between them are 45m, and every two of galleries form one unit, which can deposit 75×104m3 for each unit. The product will be stored are Saudi light and Saudi medium crude oil, the main cavern's section is 411.5m2, with 23m height and 19m width. According to the principle and technique of engineering geomechanics, this study supply a sort of system scientific thinking and method for sitting location of underground oil storage in granite region: ① On the foundation of the earth crust stability sub-zone appraise of Circum-Bo sea region, farther research concerning granite distribution, genesis, geological period and fault structure are conducted in stable areas, generally, this paper select Liaoxi, east shore of Liaotung peninsula and Jiaotung peninsula as target areas for underground oil storage regions, where Mesozoic granite is magnitude; ②After roundly comparison in facts of geologic structure, engineering geology, hydrogeology, topography, transportation and so on of three granite distributed areas, at last, selecting Jingzhou granite zone in Liaoxi out as an ideal construction area; ③ Detailed investigation is conducted in the southeast of Baimashi in Jingzhou development district, the final field. Ultrasonic Borehole Television, as a major way to collect original information of borehole rock mass were used, which is very effective to appraise the quality of deep rock mass; ④ According to the field data of tectonic stress, rock mass quality, the spatial distribution of fracture water, some optimum designs in cross section, axial direction and cavern span have been designed for the underground oil storage cavern layout in Jinzhou. To understand the characteristics of swelling alteration rock in Jinzhou granite mass, collected abundant swelling alteration rock engineering examples in granite, which study them in detail, concluded the swelling alteration rock distribute nearly everywhere in China, intruded medium-basic dykes alteration, along discontinuities and mineral hydrothermal alteration with genesis of granite are three main forms clayization alteration rock in granite rock mass. In Jinzhou field, from macro to micro studied the swelling rock which induced by mid-basic dyke intrusion, with weak swelling. In conclusion, this paper conclude the distribution rule and features of expansion alteration rock in filed, and advise some technical suggestions for excavation at swelling alteration rock part. The main features of this paper: ①In the process of site selection, investigation and design, a suit of technique and method of engineering geomechanics metasynthesis were formed, which is significative to guide the large scale underground oil storage cavern sitting location, investigation and design in granite rock mass; ②The detailed discussion on the engineering geology problems in granite mass, such as weathering crust, faults, dykes and clayization alteration rock, are useful for other projects in aspects of site selection, engineering geology evaluation and stability estimation; ③The summary and integration of the genesis, type, countermeasure relate to swelling alteration rock, also is likely to be used for other underground oil storage caverns constructed in swelling alteration granite. In conclusion, this study is meaningful for guiding the large scale underground oil storage for site selection, investigation and design in granite rock mass.

东海陆架盆地西南部烟囱构造与油气运聚关系研究

In recent years, chimney structure has been proved one of important indicators and a useful guide to major petroleum fields exploration through their exploration history both at home and abroad. Chimney structure, which has been called "gas chimney" or "seismic chimney", is the special fluid-filled fracture swarm, which results from the boiling of active thermal fluid caused by abruptly decreasing of high pressure and high temperature in sedimentary layers of upper lithosphere. Chimney structure is well developed in continental shelf basin of East China Sea, which indicates the great perspectives of petroleum resources there. However, the chimney structure also complicated the petroleum accumulation. So the study of chimney structure on its formation, its effect on occurrence and distribution of petroleum fields is very important not only on theoretical, but also on its applied research. It is for the first time to make a clear definition of chimney structure in this paper, and the existence and practical meaning of chimney structure are illustrated. Firstly, on the viewpoint of exploration, this will amplify exploration area or field, not only in marine, but also on continent. Secondly, this is very important to step-by-step exploration and development of petroleum fields with overpressure. Thirdly, this will provide reference for the study on complex petroleum system with multi-sources, commingled sources and accumulation, multi-stage accumulations, and multi-suits petroleum system in the overlay basin. Fourthly, when the thermal fluid enters the oceanic shallow layer, it can help form gas hydrate under favorable low-temperature and high-pressure conditions. Meanwhile, the thermal fluid with its particular component and thermal content will affect the physical, chemical and ecological environments, which will help solving the problem of global resources and environment. Beginning from the regional tectonic evolution characteristics, this paper discussed the tectonic evolution history of the Taibei depression, then made an dynamical analysis of the tectonic-sedimentary evolution during the Mesozoic and Cenozoic for the East China Sea basin. A numerical model of the tectonic-thermal evolution of the basin via the Basin-Mod technique was carried out and the subsidence-buried history and thermal history of the Taibei depression were inverse calculated: it had undergone a early rapid rift and sag, then three times of uplift and erosion, and finally depressed and been buried. The Taibei depression contains a huge thick clastic sedimentary rock of marine facies, transitional facies and continental facies on the complex basement of ante-Jurassic. It is a part of the back-arc rifting basins occurred during the Mesozoic and Cenozoic. The author analyzed the diagenesis and thermal fluid evolution of this area via the observation of cathodoluminescence, scanning electron microscope and thin section, taking advantage of the evidences of magma activities, paleo-geothermics and structural movement, the author concluded that there were at least three tectonic-thermal events and three epochs of thermal-fluid activities; and the three epochs of thermal-fluid activities were directly relative to the first two tectonic-thermal events and were controlled by the generation and expulsion of hydrocarbon in the source rock simultaneously. Based on these, this paper established the corresponding model between the tectonic-thermal events and the thermal-fluid evolution of the Taibei Depression, which becomes the base for the study on the chimney structures. According to the analyses of the gas-isotope, LAM spectrum component of fluid inclusion, geneses of CO_2 components and geneses of hydrocarbon gases, the author preliminarily verified four sources of the thermal fluid in the Taibei Depression: ① dehydration of mud shale compaction, ② expulsion of hydrocarbon in the source rock; ③ CO_2 gas hydro-thermal decomposition of carbonatite; ④magma-derived thermal fluid including the mantle magma water and volatile components (such as H_2O, CO_2, H_2S, SO_2, N_2 and He etc.). On the basis of the vitrinite reflectance (Ro), homogenization temperature of fluid inclusion, interval transit time of major well-logging, mud density of the wells, measured pressure data and the results of previous studies, this paper analyzed the characteristics of the geothermal fields and geo-pressure fields for the various parts in this area, and discussed the transversal distribution of fluid pressure. The Taibei depression on the whole underwent a temperature-loss process from hot basin to cold basin; and locally high thermal anomalies occurred on the regional background of moderate thermal structure. The seal was primarily formed during the middle and late Paleocene. The overpressured system was formed during the middle and late Eocene. The formation of overpressured system in Lishui Sag underwent such an evolutionary process as "form-weaken-strengthen-weaken". Namely, it was formed during the middle and late Eocene, then was weakened in the Oligocene, even partly broken, then strengthened after the Miocene, and finally weakened. The existence of the thermal fluid rich in volatile gas is a physical foundation for the boiling of the fluid, and sharply pressure depletion was the major cause for the boiling of the fluid, which suggests that there exists the condition for thermal fluid to boil. According to the results of the photoelastic simulation and similarity physical experiments, the geological condition and the formation mechanism of chimnestructures are summarized: well compartment is the prerequisite for chimney formation; the boiling of active thermal fluid is the original physical condition for chimney formation; The local place with low stress by tension fault is easy for chimney formation; The way that thermal fluid migrates is one of the important factors which control the types of chimney structures. Based on where the thermal fluid come from and geometrical characteristics of the chimney structures, this paper classified the genetic types of chimney structures, and concluded that there existed three types and six subtypes chimney structures: organic chimney structures generated by the hydrocarbon-bearing thermal fluid in middle-shallow layers, inorganic and commingling-genetic chimney structures generated by thermal fluid in middle-deep layers. According to the seismic profiles interpretations, well logging response analysis and mineralogical and petrological characteristics in the study area, the author summarized the comprehensive identification marks for chimney structures. Especially the horizon velocity analysis method that is established in this paper and takes advantage of interval velocity anomaly is a semi-quantitative and reliable method of chimney structure s identification. It was pointed out in this paper that the occurrence of the chimney structures in the Taibei depression made the mechanism of accumulation complicated. The author provided proof of episodic accumulation of hydrocarbon in this area: The organic component in the boiling inclusion is the trail of petroleum migration, showing the causality between the boiling of thermal fluid and the chimney structures, meanwhile showing the paroxysmal accumulation is an important petroleum accumulation model. Based on the evolutionary characteristics of various types of chimney structures, this paper discussed their relationships with the migration-accumulation of petroleum respectively. At the same time, the author summarized the accumulating-dynamical models associated with chimney structures. The author analyzed such accumulation mechanisms as the facies state, direction, power of petroleum migration, the conditions of trap, the accumulation, leakage and reservation of petroleum, and the distribution rule of petroleum. The author also provides explanation for such practical problems the existence of a lot of mantle-derived CO_2, and its heterogeneous distribution on plane. By study on and recognition for chimney structure, the existence and distribution of much mantle-derived CO_2 found in this area are explained. Caused by tectonic thermal activities, the deep magma with much CO_2-bearing thermal fluid migrate upward along deep fault and chimney structures, which makes two wells within relatively short distance different gas composition, such as in well LF-1 and well LS36-1-1. Meanwhile, the author predicted the distribution of petroleum accumulation belt in middle-shallow layer for this area, pointed out the three favorable exploration areas in future, and provided the scientific and deciding references for future study on the commingling-genetic accumulation of petroleum in middle-deep layer and the new energy-gas hydrate.

语前聋小儿人工耳蜗植入术后的言语康复

An Approach to the Rehabilitation of Prelingually Deaf Children After Cochlear Implantation Zheng Xiujin(Medical Psychology) Directed by Professor Yin WenGang Abstract Objective: To sum up the acquirement rule of speech and language capability which is for the prelingually deaf children after cochlear implantation by listening and language rehabilitation training and to investigate the factors that affect rehabilitation speed. Method: Sixty-four children received a cochlear implant at the age of 2 to 5 years from 2001 to 2005. They begin to be trained under group pattern after switch on 1 month. The whole training program lasted more than 7 months; after that, according to the teacher’s plan the training program was to be continued at home. Result: The period is 108±7.7 days that they can pronounce correctly 50 percent of all of simple-finals and compound-finals, the period is 115.0±7.8 days that they begin auditory repeating, the period is 135.3±10.9 days that they can speech the first specific word independently and the period is 200.3±13.9 days that they can speak 70 words and come into tri-gamut-word and two-word sentence period. The patient that is the group at the age of 2-3 years can take part in normal kindergarten after switch on about 10 months. There are no significant differences in various grades of speech-language development with different age groups and so do with different sex groups. There are significant differences in various grade of speech-language development with various IQ group (P<0.01) and so do with using and not using hearing aids before implantation. Conclusion: From the research we find that the speech and language development sequence is the same level between the prelingually deaf children of 2 to 5 years who received cochlear implant after speech training and normal children and which are stages of uncomplicated sound production, continuous syllabic (babbling), speech sprout, single-word utterances and two-word utterances in proper order. The time is short significantly and the reason is that cognition capability is enhanced along with the increase of age. The intelligence is main factor that affect rehabilitation speed and the speed in the group of high IQ is faster than common IQ. It is not because of the dominance cognition of the senior group that makes the increasing of the rehabilitation, it even makes slowly. The reason of which is that the senior group are exposed the language environment too late to achieve speech and language development. So we should perform an operation and training early. The effectiveness of rehabilitation after cochlear implantation is improved by using hearing aids before implantation. The reason is auditory stimulate can be benefit of to deaf children. The rehabilitation speeds in the children at the age of 2 to 5 years have nothing to do with sex. Key words: cochlear implant; speech therapy; paediatric rehabilitation

Proposta metodológica para estimar o potencial de expansão do sistema de integração lavoura-pecuária em nível municipal considerando a legislação ambiental: estudo de caso na microrregião de Bom Despacho, Minas Gerais.

2008

Sistema de suporte ao planejamento e levantamento agrícola municipal.

2006

Heuristics for protecting competitive knowledge in association rule mining.

2006

Adapting Home Service Robot Behaviours by Experience Reuse and Interaction with Humans

Meng, Q., Lee, M. (2003). Adapting Home Service Robot Behaviours by Experience Reuse and Interaction with Humans. 673-678. Paper presented at IEEE/ASME International Conference on Advanced Intelligent Mechatronics (AIM 2003), Port Island, Kobe, Japan

Behaviour-Based Assistive Robotics for the Home

Meng Q. and Lee M.H., Behaviour-Based Assistive Robotics for the Home, in Proc. SMC2001, IEEE 2001 Int. Conf. on Systems, Man and Cybernetics, Tucson, Arizona, Oct 2001, pp684-689.

Developing an effective electronic social care record for care in the home

Cooper, J. & Urquhart, C. (2005). Developing an effective electronic social care record for care in the home. In J. Bryant (Ed.), Current Perspectives in Healthcare Computing conference, Harrogate 21-23 March 2005 (CD-ROM). Swindon: BCS HIC Sponsorship: AHRC

The information needs and information-seeking behaviours of home-care workers and clients receiving home care

Cooper, J. & Urquhart, C. (2005). The information needs and information-seeking behaviours of home-care workers and clients receiving home care. Health Information and Libraries Journal, 22(2), 107-116. Sponsorship: AHRC

Rough set feature selection and rule induction for prediction of malignancy degree in brain glioma

X. Wang, J. Yang, R. Jensen and X. Liu, 'Rough Set Feature Selection and Rule Induction for Prediction of Malignancy Degree in Brain Glioma,' Computer Methods and Programs in Biomedicine, vol. 83, no. 2, pp. 147-156, 2006.