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1.
1.  The potential of the interaction of two similar atoms of a noble gas can be represented in the form of a Buckingham potential for which the principle of corresponding states is satisfied, one of the manifestations of this being the constancy of the complex C8/(R2C6) for different gases.
2.  In accordance to the principle of corresponding states the coefficient C8 in the Buckingham potential for adsorption interactions is 6 times greater than the value adopted at the present time in the theory of physical adsorption.
3.  In order to accelerate the calculation of the lattice sums in various calculations on the zeolites and other adsorbents it is possible to calculate the lattice sum by the usual method at reference points and write the result in the memory of a computer and in all the subsequent calculations to find the value of the lattice sum at a given point by interpolation. With an accuracy of 0.5% this method leads to an acceleration of the calculation by a factor of 2.103.
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《Analytical letters》2012,45(3):185-187
Abstract

In phototitrators especially designed to allow operation in ambient light, a photovoltaic device, the Texas Instrument LS 222, may be used instead of the photoresistive diode Texas Instrument 1N2175. This permits elimination of one battery, and a simplier circuit. Construction and performance of the titrator are otherwise identical.  相似文献   

5.
We theoretically study subdiffusion in a system, in which homogeneous thick membrane separates two media; in each of them there are different subdiffusion parameters. Subdiffusion is described by the linear differential equations with fractional time derivative and the boundary conditions requiring that the ratio of substance concentrations on both sides of the membrane surface is constant in time. Starting with the Green’s functions derived for the considered system, we discuss the property of the concentrations found in the long time limit for the system where initially the membrane separates pure solvent from homogeneous solution.  相似文献   

6.
The general solution to Brinkman's equations in a cylindrical coordinate system is obtained. This solution is used to calculate the viscous drag of a rough cylinder (placed in a porous medium) with an arbitrary orientation of its axis in relation to the velocity of the advancing flow. A formula is derived for the viscous drag of the cylinder as a function of the concentration of particles that have deposited on it during the initial stage of filtration.  相似文献   

7.
马艳君  王海军  顾芳 《化学学报》2009,67(20):2295-2300
针对两嵌段高分子链的跨膜输运过程,分别给出与不同输运次序相对戍的高分子链的自由能,进而通过求解Fokker-Planck方程并在不同条件下对平均首次通过时间进行了数值计算.计算结果表明,当共聚高分子链由良溶剂区向不良溶剂区输运时,不能发生线团一链滴转变的链首先输运总是有利于整个高分子链的输运.而在给定输运次序的情况下,化学势、线团一链滴转变、共聚链的组成以及输运速率等因素对输运时间可产生显著影响.相关研究结果可为调控实际生物高分子链的输运时间提供可能的理论线索.  相似文献   

8.
The electrophoretic behavior of a sphere in a non-Newtonian fluid is investigated theoretically by analyzing the phenomenon that occurs in a spherical cavity under the condition of a weak applied electrical field. Non-Newtonian behavior in the liquid phase may be due to, for example, the addition of polymer to a colloidal dispersion to improve its stability. It may also arise from the increase in the volume fraction of the dispersed phase such as the slurry used in chemical mechanical polishing. A Carreau model is adopted to characterize the shear-thinning behavior of the liquid phase. We show that the difference between the mobility of the particle based on the present model and that based on the corresponding Newtonian fluid increases with the decrease in the thickness of a double layer. The shear-thinning nature of the liquid phase has the effect of increasing the mobility.  相似文献   

9.
Giordani S  Raymo FM 《Organic letters》2003,5(20):3559-3562
[structure: see text] Chemical and optical stimulations control the interconversion of a three-state molecular switch trapped inside a silica monolith. The resulting absorbance changes in the visible region can be exploited to reproduce a sequential logic operator with one optical input and one optical output. This strategy to transfer operating principles for digital processing from bulk solutions to rigid materials can lead to the development of chemical logic gates based on functional solid components.  相似文献   

10.
In this paper I discuss some consequences and manifestations of a mereology of structured wholes in chemistry, with particular reference to the concept of atoms in molecules.  相似文献   

11.
A new regime of operation of PDMS-based flow-focusing microfluidic devices is presented. We show that monodisperse microbubbles with diameters below one-tenth of the channel width (here w = 50 μm) can be produced in low viscosity liquids thanks to a strong pressure gradient in the entrance region of the channel. In this new regime bubbles are generated at the tip of a long and stable gas ligament whose diameter, which can be varied by tuning appropriately the gas and liquid flow rates, is substantially smaller than the channel width. Through this procedure the volume of the bubbles formed at the tip of the gas ligament can be varied by more than two orders of magnitude. The experimental results for the bubble diameter d(b) as function of the control parameters are accounted for by a scaling theory, which predicts d(b)/w ∝ (μ(g)/μ(l))(1/12)(Q(g)/Q(l))(5/12), where μ(g) and μ(l) indicate, respectively, the gas and liquid viscosities and Q(g) and Q(l) are the gas and liquid flow rates. As a particularly important application of our results we produce monodisperse bubbles with the appropriate diameter for therapeutic applications (d(b) ? 5 μm) and a production rate exceeding 10(5) Hz.  相似文献   

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When a particle is placed in a thin liquid film on a planar substrate, the liquid either climbs or descends the particle surface to satisfy its wetting boundary condition. Analytical solutions for the film shape, the degree of particle immersion, and the downward force exerted by the wetting meniscus on the particle are presented in the limit of small Bond number. When line tension is significant, multiple solutions for the equilibrium meniscus position emerge. When the substrate is unyielding, a dewetting transition is predicted; that is, it is energetically favorable for the particle to rest on top of the film rather than remain immersed in it. If the substrate can bend, the energy to drive this bending is found in the limits of slow or rapid solid deflection. These results are significant in a wide array of disciplines, including controlled delivery of drugs to pulmonary airways, the probing of liquid film/particle interface properties using particles affixed to AFM tips and the positioning of small particles in thin films to create patterned media.  相似文献   

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This work presents the modelling of heat transfer in a polymer sample submitted to a microwave field in the quartz column of a dilatometer surrounded by vacuum to avoid convection. The temperature rise is studied in transient state by the finite element method. It is assumed that a uniform and constant heat production is maintained in the entire volume of the sample. It is shown that it is possible to design the set composed of the sample and of the column to achieve a nearly uniform temperature in the whole volume of the sample while its temperature is raised from 20 to 250°C at a heating rate of 5 deg·min?1.  相似文献   

15.
A flexible bipyridinium-linker-based porous host framework with electron-accepting pore surface, namely, [Zn2( L )(pmc)1.5] ⋅ 12 H2O ( 1 ; L⋅ Cl2=1,1′-[1,4-phenylene-bis(methylene)]bis(4,4′-bipyridinium) dichloride, H4pmc=pyromellitic acid) exhibits recognition of phenol and aromatic amine guests based on adsorbent–adsorbate charge-transfer interactions. Significantly, the resultant guest-encapsulated complexes 1@Guests can all be characterized by single-crystal X-ray diffraction. The host framework undergoes a reversible single crystal-to-single crystal transformation in response to the inclusion of different guests with flexible torsional motions of the hexagonal ring and the trapezoid-shaped bipyridinium groups. Such recognition can be visibly monitored and detected by obvious color changes. The host framework could also be recovered, and this suggested that guest sorption/desorption is reversible and that the host framework could be reused in potential applications. This work may provide an effective way to develop porous materials with special emphasis on applications involving guest recognition.  相似文献   

16.
GrInvIn (Graph Invariant Investigator) is a software framework for teaching graph theory and for research in graph theory and graph theoretic chemistry. It enables users to construct graphs, compute invariants (e.g. topological indices in chemistry) and investigate relations between these concepts. The design of GrInvIn emphasizes easy usage and makes use of software engineering techniques that enable the user to easily extend the system (e.g. by adding new topological indices to investigate).  相似文献   

17.
Stability of a vertically aligned microparticle pair in a stratified glow DC discharge is experimentally investigated. Using laser perturbations, it is shown that, for the same discharge parameters, a pair of microparticles can be suspended in two stable configurations: vertical and horizontal. The interparticle interaction and the electric field of the stratum in the region of particle levitation are quantitatively investigated for the first time. The decharging effect of the lower (downstream) particle by the ion flow wake is also observed for the first time in a glow discharge. The obtained experimental data made it possible to check the analytical criteria for the configurational stability of the system.  相似文献   

18.
The purpose of this short essay is to introduce students and other newcomers to the basic ideas and uses of modern electronic density functional theory, including what kinds of approximations are in current use, and how well they work (or not). The complete newcomer should find it orients them well, while even longtime users and aficionados might find something new outside their area. Important questions varying in difficulty and effort are posed in the text, and are answered in the Supporting Information. © 2012 Wiley Periodicals, Inc.  相似文献   

19.
This paper is a review of some of the controversial kinetic aspects of thermal analysis, starting from the esták questions posed in 1979 and looking at developments in some areas since that time. Aspects considered include: temperature programmes and variations, models and mechanisms, kinetic parameters, distinguishability and extent of fit of kinetic models, complementary evidence for kinetic models, the Arrhenius equation and the compensation effect. The value of the ideas of non-isothermal kinetics in chemical education is emphasized.On an occasion such as this, I should like to acknowledge the early inspiration and training of Professor E. G. Prout; the encouragement and help of Professor Leslie Glasser in acquiring our first thermal analysis equipment; the friendship of, and many fruitful years of collaboration with Dr. Andrew Galwey, who has made many contributions to the topic of this lecture; and Professor Patrick K. Gallagher for so much encouragement, interest and support. I am also deeply grateful to Mettler for sponsoring this award and to NATAS for administering it.  相似文献   

20.
[Bis[μ-[(2,3-butanedione dioximato)(2-)-O:O′]]tetrafluorodiborato(2-)-N,N′,N″,N]cobalt (COBF, 1) was used as a catalyst for the conversion of trans-1,2-dibromocyclohexane (DBCH) to cyclohexene and the photoelectrochemical cyclisation of 2-(4-bromobutyl)-2-cyclohexen-1-one (BBC) to trans-1-decalone 2 in a microemulsion. Voltammetry showed clear evidence of catalytic behaviour and bulk electrolysis showed larger turnover numbers for both reactions when compared with the same system using vitamin B12a as catalyst. For BBC, improved turnover may result from a relatively weak carbon–cobalt bond in the alkylcobalt intermediate of 1, and from better partition of 1 into the organic phase in which reactant BBC resides.  相似文献   

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