Influence of temperature and ethanol content on aggregation of rhodamine 6G molecules in aqueous ethanol solutions

The effect of temperature on absorption spectra of Rhodamine 6G at concentrations of 10⁻⁶ and 10⁻³ M in water:ethanol solutions of various ethanol content was studied. The dimeric molecular fraction of Rhodamine 6G (10⁻³ M) was found as a function of temperature and ethanol content in the aqueous solution. It was shown that the absorption spectrum of Rhodamine 6G dimers (10⁻³ M) is dependent on temperature and ethanol content in the aqueous solution. Based on the relationship between J-and H-bands in the absorption spectrum of Rhodamine 6G dimers, both the angle between planes of associated Rhodamine 6G dye molecules and the free enthalpy of association were calculated. The structure of Rhodamine 6G dimers depends essentially on the ethanol content and aqueous ethanol solution temperature while experiencing the most temperature changes at an ethanol concentration of 25%. Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 75, No. 5, pp. 640–645, September–October, 2008.     

石墨烯量子点:制备及检测乙醇-水溶液组分

采用改进的非完全脱水碳化方法制备石墨烯量子点.产物尺寸约6 nm,激发峰355 nm,发射峰458 nm.基于乙醇对石墨烯锯齿边质子化的抑制效应,发现可通过石墨烯量子点荧光光强检测乙醇-水混合溶液组分.在0.01-100%范围内,乙醇体积百分比与发射峰光强增量呈线性关系.本研究为制备石墨烯量子点提供参考,提出了简易的较宽范围的乙醇水溶液含量检测方法 .     

Removal of fluoride in aqueous solution by adsorption on acid activated water treatment sludge

This paper reports the use of a pellet of adsorbent made from water treatment sludge (S) and acid activated water treatment sludge (SH) for removal of fluoride in the batch equilibration technique. The influence of pH, adsorbent dosage, temperature and effect of other ions were employed to find out the feasibility of acid activated adsorbent to remove fluoride to the permissible concentration of 0.7 mg/L. The results from the adsorption isotherm followed both Langmuir and Freundlich models and the highest fluoride removal was found for adsorbent activated with acetic acid at 2.0 mol/L. The optimum adsorbent dosage was found at 40 g/L, 0.01 mol/L acid activated adsorbent which was able to adsorb fluoride from 10 down to 0.11 mg/L. The adsorption capacity was decreased when the temperature increased. This revealed that the adsorption of fluoride on SH was exothermic. In the presence of nitrate and carbonate ions in the aqueous solution, fluoride removal efficiency of SH decreased from 94.4% to 86.6% and 90.8%, respectively. However, there is no significant effect in the presence of sulfate and chloride ions.     

Detection and characterization of single molecules in aqueous solution

Using a confocal microscope with a single-photon avalanche photodiode as detector, we studied photon bursts of single Rhodamine 6G (R6G) and Rhodamin B-zwitterion (RB) molecules in aqueous solution by excitation of the lowest excited singlet stateS ₁ with a frequency-doubled titanium: sapphire laser. Multichannel scaler traces, the fluorescence autocorrelation function and fluorescence decay times determined by time-correlated single-photon counting have been measured simultaneously. The time-resolved fluorescence signals were analyzed with a maximum likelihood estimator. Fluorescence lifetime patterns in steps of 100 ps were generated by convolution with the excitation pulse. The lifetime of theS ₁ state was derived from the Kullback-Leibler minimum discrimination information. We are able to demonstrate for the first time identification of two different single dye molecules via their characteristic fluorescence lifetimes of 1.79 ± 0.33 ns (RB) and 3.79 ± 0.38 ns (R6G) in aqueous solution.Dedicated to Prof. F. P. Schäfer on the occasion of his 65th birthday.On leave from Department of Physics, Mokwon University, Taejon, 301-729, Korea     

Submillisecond detection of single rhodamine molecules in water

Using a modified confocal fluorescence microscope and a CW argon laser, we have measured fluorescence bursts from diffusing single Rh6G molecules that clearly exceed the background intensity. The exact average number of molecules in the observable volume elements was measured directly via the fluorescence intensity autocorrelation function. This allowed us to estimate the probability of finding several molecules simultaneously in the volume element. A tradeoff between the number of detected fluorescence photons and the signal-to-background ratio was observed. In a volume element of 0.24 fl, 4 photoelectrons on average were detected from a molecule of Rh6G with a fluorescence-to-background ratio of 1000, while the volume element of 60 fl yielded on average 100 photoelectrons with a background of 25 counts. In fast single-molecule detection the intersystem crossing into the triplet state plays an important role, affecting the maximum emission rate from the molecule.This is a peer-reviewed conference proceeding article from the Third Conference on Methods and Applications of Fluorescence Spectroscopy, Prague, Czech Republic, October 18–21, 1993.     

Separation characteristics of alcohol from aqueous solution by ultrasonic atomization

The generation rate of ultrasonically atomized droplets and the alcohol concentration in droplets were estimated by measuring the flow rate and the alcohol concentration of vapors from a bulk solution with a fountain. The effect of the alcohol concentration in the bulk solution on the generation rate of droplets and the alcohol concentration in droplets were investigated. The ultrasonic frequency was 2.4 MHz, and ethanol and methanol aqueous solutions were used as samples. The generation rate of droplets for ethanol was smaller than that for methanol at the same alcohol molar fraction in the bulk solution. For both solutions, at low alcohol concentration in the bulk solution, the alcohol concentration in droplets was lower than that in vapors and the atomized droplets were visible. On the other side, at high concentration, the concentration in droplets exceeded that in vapors and the atomized droplets became invisible. These results could be explained that the alcohol-rich clusters in the bulk solution were preferentially atomized by ultrasonic irradiation. The concentration in droplets for ethanol was higher than that for methanol at low alcohol concentration because the amount of alcohol-rich clusters was larger. When the alcohol molar fraction was greater than 0.6, the atomized droplets almost consisted of pure alcohol.     

Determination of low-level water content in ethanol by fiber-optic evanescent absorption sensor

Evanescent field absorption spectroscopy in the infrared range of coiled fiber-optic sensor has been applied to determine the low-level water content in ethanol. Principal component regression and classical least square models have been utilized to build the calibration model and predict the water concentrations. The standard errors of predictions of water concentrations in ethanol were 3.16% and 0.42% respectively. Some methods to improve the accuracy of predicted water concentration in ethanol were suggested. The predicted concentration of water is acceptably accurate and cost-effective. The study demonstrates that the coiled fiber-optic sensor based on evanescent absorption spectroscopy is a feasible technology for prediction of the low-level water content in bio-ethanol and other industries in both on-line and remote situation.     

Theory of polarized fluorescence of polyatomic radicals upon photodissociation of complex molecules in the gas phase

The effect of rotational predissociation on the polarization response of an ensemble of photofragments is investigated within the framework of the model with free scatter of fragments for the most general case when both original molecules and fragments are asymmetric rotators. Photoinduced decomposition reactions with single- and two-photon excitation of fragment fluorescence are analyzed. Second- and third-order orientational correlation functions determining the polarization degree of fragment fluorescence are calculated. The behavior of these correlation functions depending on the shape of original molecules and fragments, directions of dipole moments, and characteristic times of the process are analyzed. Institute of Molecular and Atomic Physics, National Academy of Sciences of Belarus, 70, F. Skorina Ave., Minsk, 220072, Belarus. Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 65, No. 6, pp. 908–914, November–December, 1998.     

计算氢同位素水分子汽化焓的比较法

本文首次提出计算氢同位素水分子汽化焓的比较法,得到0～374℃时H2O,D2O,DTO和T2O的汽化焓,并提出用D2从含氚重水中分离出DT气的适宜温度.     

基于多组态含时Hartree-Fock方法研究电子关联对于H_2分子强场电离的影响

发展了三维的处理双原子分子非微扰电子动力学的多组态含时Hartree-Fock方法,并利用该方法研究了电子关联对于H_2分子强场电离概率的影响.该方法采用能够精确处理双中心库仑势的椭球坐标系,以及减小双电子积分计算量的有限元-离散变量基函数方法.利用多组态含时Hartree-Fock方法计算了H_2分子随分子取向角度变化的XUV光电离结果,并通过与单组态结果的对比研究了电子关联对于单电离和双电离概率的不同影响.研究表明,电子关联对于单电离过程影响很小,而在双电离过程中则发挥了重要作用,导致了电离概率的减小.该方法为进一步研究强场物理过程中的电子关联效应奠定了基础.     

Unprecedentedly rapid transport of single-file rolling water molecules

The realization of rapid and unidirectional single-file water-molecule flow in nanochannels has posed a challenge to date. Here, we report unprecedentedly rapid unidirectional single-file water-molecule flow under a translational terahertz electric field, which is obtained by developing a Debye doublerelaxation theory. In addition, we demonstrate that all the single-file molecules undergo both stable translation and rotation, behaving like high-speed train wheels moving along a railway track. Independent molecular dynamics simulations help to confirm these theoretical results. The mechanism involves the resonant relaxation dynamics of H and O atoms. Further, an experimental demonstration is suggested and discussed. This work has implications for the design of high-efficiency nanochannels or smaller nanomachines in the field of nanotechnology, and the findings also aid in the understanding and control of water flow across biological nanochannels in biology-related research.     

Nonradiative energy transfer in a concentrated solution of prodan

The temporal characteristics of luminescence decay in concentrated solutions of prodan excited by picosecond laser radiation are studied The electronic spectra exhibit a strong inhomogeneity, which, in the case of elevated solution viscosity, manifests itself under steady-state conditions of measurements. The temporal characteristics of the luminescence decay and the time-resolved luminescence spectra point to the occurrence of relaxation processes causing a long-wavelength shift of the emission band with time. An increase in the prodan concentration from 10^?4 to 5 × 10^?2 M leads to a faster increase in the luminescence lifetime in the long-wavelength spectral region and to a higher rate of shifting of the instantaneous spectra, which is related to energy transfer over the states of inhomogeneous broadening of the luminophore.     

Cold cesium molecules produced directly in a magneto-optical trap

We report on the observation of ultracold ground electric-state cesium molecules produced directly in a magneto- optical trap with a good signal-to-noise ratio. These molecules arise from the photoassociation of magneto-optical trap lasers and they are detected by resonantly enhanced multiphoton ionization technology. The production rate of ultracold cesium molecules is up to 4×10⁴ s^-1. We measure the characteristic time of the ground electric-state cesium molecules generated in the experiment and investigate the Cs₂⁺ molecular ion intensity as a function of the trapping laser intensity and the ionization pulse laser energy. We conclude that the production of cold cesium molecules may be enhanced by using appropriate experimental parameters, which is useful for future experiments involving the production and trapping of ultracold ground electric-state molecules.     

单层石墨烯水分子吸附对其光学性质的影响

用基于第一性原理中的密度泛函理论MS软件对水分子吸附在单层石墨烯表面进行计算,使用广义梯度近似和周期性平面模型,得到不同数量的水分子吸附在石墨烯表面上的吸附能,并且计算了相对应的光学性质.得到的结果是吸附能很小,主要是范德瓦尔斯相互作用.石墨烯具有高疏水性,水分子在石墨烯表面对石墨烯的电子结构几乎没有作用,吸附不同个数的水分子后对石墨烯的光学性质有一定影响,其中吸附单个水分子后变化并不明显,吸附2或3个水分子后吸收率和光电导率略有下降;折射率和消光率下降不明显,说明吸附水对石墨烯的透明度影响不大;介电函数的实数部分变化趋于平缓,虚数部分有明显下降;能量损失增加.     

单层石墨烯水分子吸附对其光学性质的影响

用MS软件对水分子吸附在单层石墨烯表面进行计算,采用第一性原理中的密度泛函理论。使用广义梯度近似和周期性平面模型,得到不同数量的水分子吸附在石墨烯表面上的吸附能,并且计算了相对应的光学性质。得到的结果是吸附能很小,主要是范德瓦尔斯相互作用。石墨烯具有高疏水性,水分子在石墨烯表面对石墨烯的电子结构几乎没有作用,吸附不同个数的水分子后对石墨烯的光学性质有一定影响,其中吸附单个水分子后变化并不明显,吸附2或3个水分子后吸收率和光电导率略有下降;折射率和消光率下降不明显,说明吸附水对石墨烯的透明度影响不大;介电函数的实数部分变化趋于平缓,虚数部分有明显下降;能量损失增加。     

Interaction of muonium with molecules of biological interest in water solution

Muonium's reaction constants with DNA and its constituents in water solutions are reported and compared with the available data for hydrogen. The low frequency spectrum of the resulting muonic radicals in low magnetic fields is recognized.This work was supported by Consiglio Nazionale delle Ricerche, contract n^o 75.00862.02 and by CERN, Experimental Physycs Division. Data analysis performed at CINECA computation facilities.     

Calculation of static correlations in a fluid of linear molecules

Recently, both X-ray and neutron diffraction data have been obtained for liquid crystalline materials. While these results contain information about the instantaneous correlations of molecular positions and orientations in such fluids, no relevant calculations are available to aid the interpretation of the data. In this paper a formalism which may be used to describe static, molecular correlations in isotropic or anisotropic fluids of linear molecules is developed. To obtain the theory, the direct and total correlation functions of two molecules are expanded as series of spherical harmonics the arguments of which describe the molecular orientations. A relation between the expansion coefficients of these series is obtained by making use of the Ornstein-Zernike equation. It is shown that this equation may be solved in the Percus-Yevick or Optimized-Random-Phase approximations by a variational technique. This technique is used to find the total correlation function in the Percus-Yevick approximation of hard, linear molecules of various length-breadth ratios at several fluid densities.     

蛋白质分子链的非线性激发的孤子模型的一个改进解

通过仔细考察蛋白质分子链中体系运动方程的非线性项,得到了一个与通常非线性Schrdinger方程不同的修正的非线性Schrdinger方程,并求得了一个改进孤子解.     

Structure and ultrafast ethanol sensing properties of In2O3-capped Zn-doped Fe2O3 nanorods

This paper reports the facile synthesis of In₂O₃-capped Zn-doped Fe₂O₃ nanorods along with their ethanol gas sensing properties. A two-stage process involving thermal oxidation of Fe foils and Zn powders in air and the sputter-deposition of In₂O₃ was used to synthesize these nanostructures. The nanorods synthesized using this method were ∼5 μm in length and 50–120 nm in diameter with a shell layer thickness of 10–15 nm. The multiple-networked In₂O₃-capped Zn-doped Fe₂O₃ nanorod sensor showed a significantly enhanced and ultrafast response to ethanol gas. The enhanced sensing performance was explained by modulation of the potential barrier height and the strong catalytic activity of In₂O₃ for ethanol oxidation.     

Boiling crisis in droplets of ethanol water solution on the heating surface

Evaporation of droplets of ethanol water solution on a heated surface is studied experimentally at high heat fluxes. The behavior of water-alcohol mixtures was examined under the conditions of heat transfer crisis. Direct measurement of the current mass of evaporating droplets allows us to study the behavior of liquid batches in significantly nonstationary processes. An insignificant alcohol admixture to water increases significantly the transitional area of the crisis. The maximal length of transitional area corresponds to a mass concentration of alcohol of about 30%. For this concentration the heat transfer coefficient of the water-alcohol solution is maximal. It is shown that addition of highly volatile liquids to water allows efficient control of evaporation rate, which can be used for engineering processes.