A partially incoherent rate theory of long-range charge transfer in deoxyribose nucleic acid

A quantum chemistry based Green's function formulation of long-range charge transfer in deoxyribose nucleic acid (DNA) double helix is proposed. The theory takes into account the effects of DNA's electronic structure and its incoherent interaction with aqueous surroundings. In the implementation, the electronic tight-binding parameters for unsolvated DNA molecules are determined at the HF/6-31G* level, while those for individual nucleobase-water couplings are at a semiempirical level by fitting with experimental redox potentials. Numerical results include that: (i) the oxidative charge initially at the donor guanine site does hop sequentially over all guanine sites; however, the revealed rates can be of a much weaker distance dependence than that described by the ordinary Ohm's law; (ii) the aqueous surroundings-induced partial incoherences in thymine/adenine bridge bases lead them to deviate substantially from the superexchange regime; (iii) the time scale of the partially incoherent hole transport through the thymine/adenine pi stack in DNA is about 5 ps. (C) 2002 American Institute of Physics.

Charge Transport Processes of Immobilized Heteropolyanions at Self-assembled Monolayer Modified Gold Electrode by Electrochemical Quartz Crystal Microbalance Measurement

The in situ electrochemical quartz crystal microbalance(EQCM) technique was used to investigate the ion transport of immobilized heteropolyanions at a self-assembled monolayer(SAM) modified gold electrode during electrochemical redox process. A mixed transfer method was presented to analyse the abnormal change of resonant frequency based on the simultaneous insertion/extraction of different ions. The results indicate that the migration of HSO4- anions was indispensable in the redox process of the heteropolyan ions in a I mol/L H2SO4 solution and played a key role in the abnormal change of the resonant frequency. Such a change was attributed to different packing densities derived by means of differently immobilized methods.

Experimental Investigations on Interaction of Two Drops by Thermocapillary-Buoyancy Migration

Experiments were performed, in a terrestrial environment, to study the migration and interaction of two drops with different diameters in matrix liquid under temperature gradient field. Pure soybean oil and silicon oil were used as matrix liquid and the drop liquid, respectively. The information on the motions of two drops was recorded by CCD camera system in the experiments to analyze the trajectories and velocities of the drops. Our experiments showed that, upon two drops approaching each other, the influence of the larger drop on the motion of the smaller one became significant. Meanwhile the smaller drop had a little influence on the larger one all the time. The oscillation of migration velocities of both drops was observed as they were approaching. For a short period the smaller drop even moved backward when it became side by side with the larger one during the migration. Although our experimental results on the behavior of two drops are basically consistent with the theoretical predictions, there are also apparent differences. 2006 Elsevier Ltd. All rights reserved. Keywords: Thermocapillary migration; Drop; Interaction; Oscillation 1. Introduction A bubble or drop will move when placed in another fluid with temperature gradient. This motion happens as a consequence of the variation of interfacial tension with temperature. Such a phenomenon is already known as Marangoni migration problem. With the development of microgravity science, bubble dynamics and droplet dynamics became a hot point problem of research because this investigation is very important for basic research as well as for applications in reduced gravity environment, such as space material science, chemical engineering and so on. Young et al. first investigated the thermocapillary migration of

Experimental investigation of thermocapillary migration of isolated drops

Experimental hardware has been developed to perform experiments on the Marangoni migration of drops in the case of intermediate Reynolds numbers in a microgravity environment. The experiments were conducted using the drop shaft free fall facility with a 4.5 second microgravity period in the Microgravity Laboratory of Japan. In this experiment, the thermocapillary velocity of drop migration was measured for drops of different sizes in a series of temperature gradients.

Unsteady Model of Drop Marangoni Migration in Microgravity

The experiments of drop Marangoni migration have been performed by the drop shift facility of short period of 4.5 s, and the drop accelerates gradually to an asymptotic velocity during the free fall. The unsteady and axisymmetric model is developed to study the drop migration for the case of moderate Reynolds number Re = O(1), and the results are compared with the experimental ones in the present paper. Both numerical and experimental results show that the migration velocity for moderate Reynolds number is several times smaller than that given by the linear YGB theory.

Planar Thermocapillary Migration of Two Bubbles in Microgravity Environment

A theoretical investigation is performed on the thermocapillary motion of two bubbles in arbitrary configuration in microgravity environment under the assumption that the surface tension is high enough to keep the bubbles spherical. The two bubbles are dr

Numerical Simulation Of Horizontal Migration Of Proppant

The horizontal migration of proppant was numerically investigated with a two-fluid model, in which the interaction between fracturing fluid and proppant, along with that among proppants was taken into account through interphase forces. The migration process and the volumetric concentration of the proppant were examined under various conditions, and the. averaged volumetric concentration of the proppant was obtained. The present research might be useful in the process design of the hydraulic fracturing in the oilfields.

On-Board Experimental Study Of Bubble Thermocapillary Migration In A Recoverable Satellite

An on-board space experiment of bubble thermocapillary migration was performed in the Chinese 22nd recoverable satellite in 2005. Silicone oil of nominal viscosity 5cSt was used as the continuous phase in the experiment. Air bubbles were injected into the liquid in the same direction as the constant temperature gradient in the liquid. The velocities of bubbles were obtained by recording the paths of the bubbles. The results indicate that the scaled velocity of bubbles decreases with an increase of the Marangoni number extended to 9288, which agrees with the results of previous space experiments and numerical simulation. In addition, the interaction between two bubbles was also observed in the space experiment. The trajectories and the velocities of the bubbles were obtained. The two-bubble experiment results are also consistent with the theoretical analysis.

Thermocapillary Migration Of Nondeformable Drops

In this paper, we present a numerical study on the thermocapillary migration of drops. The Navier-Stokes equations coupled with the energy conservation equation are solved by the finite-difference front-tracking scheme. The axisymmetric model is adopted in Our simulations, and the drops are assumed to be perfectly spherical and nondeformable. The benchmark simulation starts from the classical initial condition with a uniform temperature gradient. The detailed discussions and physical explanations of migration phenomena are presented for the different values of (1) the Marangoni numbers and Reynolds numbers of continuous phases and drops and (2) the ratios of drop densities and specific heats to those of continuous phases. It is found that fairly large Marangoni numbers may lead to fluctuations in drop velocities at the beginning part of simulations. Finally, we also discuss the influence of initial conditions on the thermocapillary migrations. (C) 2008 American Institute of Physics.

Space Experimental Investigation On Thermocapillary Migration Of Bubbles

Results from a space experiment on bubble thermocapillary migration conducted on board the Chinese 22nd recoverable satellite were presented. Considering the temperature field in the cell was disturbed by the accumulated bubbles, the temperature gradient was corrected firstly with the help of the temperature measurement data at six points and numerical simulation. Marangoni number (Ma) of single bubble migrating in the space experiment ranged from 98.04 to 9288, exceeding that in the previous experiment data. The experiment data including the track and the velocity of two bubble thermocapillary migration showed that a smaller bubble would move slower as it was passed by a larger one, and the smaller one would even rest in a short time when the size ratio was large enough.

Numerical simulation of drop Marangoni migration under microgravity

Thermocapillary motion of a drop in a uniform temperature gradient is investigated numerically. The three-dimensional incompressible Navier-Stokes and energy equations are solved by the finite-element method. The front tracking technique is employed to describe the drop interface. To simplify the calculation, the drop shape is assumed to be a sphere. It has been verified that the assumption is reasonable under the microgravity environment. Some calculations have been performed to deal with the thermocapillary motion for the drops of different sizes. It has been verified that the calculated results are in good agreement with available experimental and numerical results. (C) 2003 Elsevier Ltd. All rights reserved.

Numerical investigation of thermocapillary migration of the drop for large Marangoni numbers

An axisymmetric model is adopted to simulate the problem of unsteady drop thermocapillary motion for large Marangoni numbers. Front tracking methods are used in the investigation. It is found that the non-dimensional drop migration velocity will decrease with increasing Marangoni number. This agrees well with the experimental results obtained from the 4th Shen-Zhou space ship. In the meanwhile, this is also the first time for numerical simulations to verify the experimental phenomenon under large Marangoni numbers.

Drop migration of middle Reynolds number in a vertical temperature gradient

The experimental investigation of the thermocapillary drop migration in a vertical temperature gradient uns performed on ground. Silicon oil and pure soybean oil were used as experimental medium in drops and as continuous phases, respectively, in the present experiment. The drop migration, under the combined effects of buoyancy: and thermocapillarity, was studied for middle Reynolds numbers in order of magnitude O(10(1)). The drop migration velocities depending on drop diameters were obtained. The present experimental results show relatively small migration velocity in comparison with the one suggested by Young et nl. for linear theory of small Reynolds number. An example of flow patterns inside the drop was observed by PIV method.