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《Computers & chemistry》1997,21(2):83-87
A program in Fortran has been created on the basis of programs LMDIF taken from the Minpack Library and also from the book Numerical Recipes in Fortran [Press et al. (1992), 2nd edn, Cambridge University Press, Cambridge]. The program permits the calculation of the structural parameters of adsorbents, including fractal dimension, and is based on the extension of the potential theory of adsorption (DA adsorption) given by Dubinin and Astakhov (1971) [Izv. AN. SSSR, Ser Khim. 5, 11–17]. To minimize the number of approximated parameters the program describes the cases where n (the parameter of the DA adsorption isotherm equation) can be different or equal to 2, but assumed “a priori”. In this case the number of parameters is equal to 4. However, for one system only was a reliable value of the fractal dimension obtained: the instance of adsorbate-adsorbent (zeolite NaA-water). For this reason we include a supplement to the program, which allows the calculation of structural parameters for the adsorbent on the basis of a five-parameter equation (N = 5) where n is approximated. In this case all obtained fractal dimension values are reliable and these suggest that among the zeolites investigated by us the deviation from planarity decreases in the order CaA > NaA > MgA > MgY > NH4Y.  相似文献   

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ity (≥ 9), high Ki-67 labeling index (≥ 42), and positivity of MUC1, cathepsin D, and MMP-7 showed a significantly high incidence of lymph node metastasis. Multivariate analysis revealed that hig  相似文献   

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《Calphad》2004,28(3):321-327
The water activities of the mixed aqueous electrolyte {(y) NH4NO3+(1−y) LiNO3)}(aq) are measured at total molalities from 0.2 mol kg−1 to about saturation for different ionic-strength fractions y of NH4NO3 with y=0.20,0.50,0.80. The results allow the deduction of osmotic coefficients. The experimental results are compared with the predictions of the Zdanovskii–Stokes–Robinson (ZSR), Robinson and Stokes (RS), Lietzke and Stoughton (LS II), Reilly–Wood–Robinson (RWR) mixing rules and the Pitzer model. From these measurements, the Pitzer mixing ionic parameters are determined and used to predict the solute activity coefficients in the mixture. The excess Gibbs energy is also determined.  相似文献   

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Abstract

This paper describes a project designed to improve planning procedures, through the introduction of microcomputers into the Central Planning Division, Ministry of Finance, Government of Meridian. The first section places the logic of the computerization project within the context of a wider programme to upgrade skills and methodologies in Meridian, and the paper then discusses the background to the computerization proposal by way of explaining its aims and objectives.

The third section focuses on technical issues, and examines the particular virtues of microcomputers in this type of centralized planning division. The hardware, software and training requirements are considered, and the schedule and milestones of this particular project explained. Organizational issues are then examined, from which the sources of many of the problems encountered in this project can be identified. Actual progress to date is described in the light of both technical and organizational issues, and an attempt made to assess the effectiveness of the project as a whole. The paper ends by pointing to some broader conclusions on the potential of microcomputers in development planning and to issues which critically determine the effectiveness of their value in central planning agencies, such as that described here.  相似文献   

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《Calphad》2004,28(2):147-151
In this paper, the phase diagrams of the LaBr3–MBr (M=Na, K, Rb, Cs) systems are optimized and calculated with the CALPHAD technique. The new modified quasi-chemical model in the pair approximation for local order was used to describe the Gibbs energies of the liquid in these systems. A set of thermodynamic functions has been optimized on the basis of an interactive computer-assisted analysis. The optimized thermodynamic parameters were used to calculate the thermodynamically self-consistent phase diagrams.  相似文献   

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In a key article (Walsham & Sahay, 2005) outlining research on information systems in developing countries and suggesting potential areas for future research, a notable omission was the issue of gender and gender relations. In this article, we draw on the substantial gender and development literature to demonstrate the centrality of gender to our understanding of information systems (IS) in developing countries. In particular, we consider the relationship among gender, information and communication technologies (ICTs), and globalization to illustrate how changes in the global economy both impact on and are influenced by changing gender identities and roles. © 2008 Wiley Periodicals, Inc.  相似文献   

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The paper discusses creation of modern computational technologies and methods of parallel programming aimed at improving efficiency of solving fundamental scientific and applied problems. Primary attention is focused on theoretical issues and practical implementation of technological decomposition and parallelization of algorithms and codes of the computational system Potok-3, which is designed for the numerical modeling of aerodynamics and physical gas dynamics problems. General problems of portability of methods and algorithms, as well as program packages implementing them, designed for single-processor machines to multiprocessor computational systems are discussed.  相似文献   

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Thermodynamic properties of the quasi binary Ca(NO3)2–NaNO3 system are of interest with respect to thermal energy storage. In the present work the phase diagram as well as thermodynamic properties of the near eutectic mixture 45 mol% Ca(NO3)2 – 55 mol% (NaNO3)2 were determined experimentally and applied in the assessment of a new Gibbs energy dataset for thermochemical calculations. The enthalpy of fusion of the 45 mol% Ca(NO3)2 – 55 mol% (NaNO3)2 mixture is determined to be 24.7 ± 0.5 kJ/mol. The melting and crystallization enthalpy have good reproducibility, which makes it possible to use this mixture as a phase change material at temperature 225 °C. The assessed dataset describes liquid phase properties using a subregular solution model in the Redlich-Kister formalism with high accuracy. Therefore it can be used for the prediction of thermodynamic properties of different compositions in the whole Ca(NO3)2–NaNO3 system and be included in databases for calculation of multicomponent systems including other components.  相似文献   

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While the media industry may consider credibility its most valuable asset, scholars suggest there is a potential “dark side” to credibility: Perceptions of credibility of a source lead to selective exposure and selective avoidance, and both lead to increased fragmentation and polarization of social and political views. The link between credibility and selective exposure and avoidance has not received much academic attention, therefore this study employed a survey of politically interested Internet users during the 2008 presidential campaign to test the influence of credibility and reliance on selective exposure and avoidance after controlling for demographic and political factors. This study found little evidence of a dark side to credibility. Respondents who judge blogs as credible search for information that supports their point of view, as well as challenges their opinions.  相似文献   

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This research particularly aims to investigate how the individual differences in gender, age, and internet experience influence citizens’ trust in e-government’s adoption. The findings of the study revealed that females are confident and have a more positive evaluation of online services compared to males. Interestingly, this study found that old people display greater trust in e-government as compared to the levels of trust reported by younger people. The results also show that internet experience influences citizens’ trust positively.  相似文献   

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Following the analysis and evaluation to the viewing pipeline of GKS-3D,a draft proposalof the international standard ofthree-dimensional computer graphics,an implementation of theviewing pipeline is further proposed in the paper and its algorithms are given in detail.Theimplementation is characterized by allowing a possible combination of the view clip andworkstation dip.  相似文献   

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We write a program to implement the Cluster–Cluster Aggregation (CCA) model with java programming language. By using the simulation program, the fractal aggregation growth process can be displayed dynamically in the form of a three-dimensional (3D) figure. Meanwhile, the related kinetics data of aggregation simulation can be also recorded dynamically. Compared to the traditional programs, the program has better real-time performance and is more helpful to observe the fractal growth process, which contributes to the scientific study in fractal aggregation. Besides, because of adopting java programming language, the program has very good cross-platform performance.  相似文献   

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Dutta T 《Applied ergonomics》2012,43(4):645-649
Recording posture and movement is important for determining risk of musculoskeletal injury in the workplace, but existing motion capture systems are not suited for field work. Estimates of the 3-D relative positions of four 0.10 m cubes from the Kinect were compared to estimates from a Vicon motion capture system to determine whether the hardware sensing components were sensitive enough to be used as a portable 3-D motion capture system for workplace ergonomic assessments. The root-mean-squared errors (SD) were 0.0065 m (0.0048 m), 0.0109 m (0.0059 m), 0.0057 m (0.0042 m) in the x, y and z directions (with x axis to the right, y axis away from the sensor and z axis upwards). These data were collected over a range of 1.0-3.0m from the device covering a field of view of 54.0 degrees horizontally and 39.1 degrees vertically. Requirements for software, hardware and subject preparation were also considered to determine the usability of the Kinect in the field.  相似文献   

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