Speedy Numerical Algorithms and Architecture for Additive Spectral Analysis

In this paper, fast evaluation of Fourier integrals using additive and dual additive algorithms are considered. For this, we introduce formulas for fast computing Fourier integrals and we present possible variants of structural realization of spectral analyzer. Computer simulation of additive algorithms for solving differential equations is described. The algorithms presented in this paper are suitable for real-time analysis.     

正丁基硫代磷酸酯的合成及其摩擦学性能研究

用MS、FT IR等方法对合成的三正丁基一硫代及四硫代磷酸酯进行了结构表征 ,并在四球摩擦磨损试验机上考察了其在液体石蜡中的摩擦学性能 ;用扫描电镜 (SEM )和X射线光电子能谱 (XPS)对钢球磨痕表面做了分析 .结果表明 :对于钢 钢摩擦副 ,合成的两种硫代磷酸酯可以显著提高液体石蜡的极压抗磨性能 ,但不能改善其减摩性能 .钢球磨损表面XPS和SEM分析结果表明 ,添加剂分子在金属表面发生物理或化学吸附 ,并导致金属表面的腐蚀和摩擦化学反应     

Thermodynamics of solutions of iodine and perfluorocarbons in cycloalkanes

The solubilities of iodine from 9 to 30°C were measured in the C₅, C₆, C₇, C₈, and C₁₀ cycloalkanes. The solubilities were found to increase smoothly with ring size and to be greater than these of corresponding n-alkane. The results are analyzed in terms of the solubility parameter version of the regular solution theory and, unlike the n-alkanes, good agreement is found suggesting that the cycloalkanes are good model substances for testing theoretical predictions of the effect of molecular size on the thermodynamics of liquid mixtures and that molecular shape and flexibility need not be considered, at least in equilibrium properties governed by the free energy. A similar analysis of the upper critical solution temperatures of cyloalkane + perfluorotributylamine, cycloalkane + perfluorocyclohexane, and n-alkane + perfluorotributylamine mixtures leads to the same conclusion.     

Influence of gel composition on the solubility parameter of poly(2‐hydroxyethyl methacrylate‐itaconic acid) hydrogels

The solubility parameters of pure poly(2‐hydroxyethyl methacrylate) (PHEMA) and poly(2‐hydroxyethyl methacrylate/itaconic acid) [P(HEMA/IA)] hydrogels were determined by 20 solvents with various solubility parameters in swelling experiments. The solubility parameter of pure PHEMA was 26.93 ± 0.46 (MPa)^1/2. The effect of mole percentages of itaconic acid (IA) in P(HEMA/IA) hydrogels on the solubility parameter was investigated. The measured values were compared to literature and solubility values theoretically determined by group contribution values of van Krevelen and Hoy. The incorporation of IA into the hydrogel system slightly increased the solubility parameter. © 2002 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 40: 1995–2003, 2002     

Interfacial water studies and their relevance for the energy sector

ABSTRACT

Interfacial water is ubiquitous, and its investigation has attracted the interest of many for both fundamental and applied purposes. This perspective provides a few highlights concerning how molecular and sometimes multi-scale investigations on the properties of interfacial water could be of practical relevance for the energy sector. The discussion focuses on the transport of electrolytes through narrow pores, and on the solubility and transport properties of confined hydrocarbons, with particular attention in attempting to describe how interfacial water can affect such properties, especially within narrow pores. Recent results on the self-assembly of surfactants on heterogeneous surfaces are also briefly discussed. Finally, a few possible directions for future research are suggested. It should be stressed that this is not a comprehensive review on the possible impact of interfacial water studies on the energy sector, but rather a brief commentary on some personal interests, with the intent of stimulating debate.     

Environmental Mobility of Pu(IV) in the Presence of Ethylenediaminetetraacetic Acid: Myth or Reality?

Ethylenediaminetetracetic acid (EDTA), which was co-disposed with Pu at several US Department of Energy sites, has been reported to enhance the solubility and transport of Pu. It is generally assumed that this enhanced transport of Pu in geologic environments is a result of complexation of Pu(IV) with EDTA. However, the fundamental basis for this assumption has never been fully explored. Whether EDTA can mobilize Pu(IV) in geologic environments is dependent on many factors, chief among them are not only the complexation constants of Pu with EDTA and dominant oxidation state and the nature of Pu solids, but also (1) the complexation constants of environmentally important metal ions (e.g., Fe, Al, Ca, Mg) that compete with Pu for EDTA and (2) EDTA interactions with the geomedia (e.g., adsorption, biodegradation) that reduce effective EDTA concentrations available for complexation. Extensive studies over a large range of pH values (1 to 14) and EDTA concentrations (0.0001 to 0.01 mol⋅L⁻¹) as a function of time were conducted on the solubility of 2-line ferrihydrite (Fe(OH)₃(s)), PuO₂(am) in the presence of different concentrations of Ca ions, and mixtures of PuO₂(am) and Fe(OH)₃(s). The solubility data were interpreted using Pitzer’s ion-interaction approach to determine/validate the solubility product of Fe(OH)₃(s), the complexation constants of Pu(IV)-EDTA and Fe(III)-EDTA, and to determine the effect of EDTA in solubilizing Pu(IV) from PuO₂(am) in the presence of Fe(III) compounds and aqueous Ca concentrations. Predictions based on these extensive fundamental data show that environmental mobility of Pu as a result of Pu(IV)-EDTA complexation as reported/implied in the literature is a myth rather than the reality. The data also show that in geologic environments where Pu(III) and Pu(V) are stable, the EDTA complexes of these oxidation states may play an important role in Pu mobility.     

K2B4O7-Na2B4O7-Li2B4O7-H2O 四元体系15℃介稳相平衡研究

采用等温蒸发平衡法研究了四元体系K2B4O7-Na2B4O7-Li2B4O7-H2O15℃时的介稳相平衡及平衡液相的物化性质(密度,粘度,电导率,折光率,pH)。根据实验数据绘制了相图,相图中有一个共饱点E,三条单变度曲线E3F,E2F,E1F;三个平衡固相分别为：K2B4O7•4H2O,Na2B4O7•10H2O和Li2B2O4•16H2O;硼酸钾具有最大溶解度,硼酸钠具有最小溶解度。同时,根据试验数据绘制了组成－物化性质关系图,从图可见溶液的密度,粘度和折光率均随着溶液浓度的增大而逐渐增大,在共饱和点F处达到最大值,而溶液的pH值和电导率却随着溶液浓度的增大呈总体下降的趋势。     

Analyzing solubility of acid gas and light alkanes in triethylene glycol

Physical solvents such as ethylene glycol （EG）, diethylene glycol （DEG）, and triethylene glycol （TEG） are commonly used in wet gas dehydration processes with TEG being the most popular due to ease of regeneration and low solvent losses. Unfortunately, TEG absorbs significantly more hydrocarbons and acid gases than EG or DEG. Quantifying this amount of absorption is therefore critical in order to minimize hydrocarbon losses or to optimize hydrocarbon recovery depending on the objective of the process. In this article, a new correlation that fully covers the operating ranges of TEG dehydration units is developed in order to determine the solubility of light alkanes and acid gases in TEG solvent. The influence of several parameters on hydrocarbon and acid gas solubility including temperature, pressure, and solvent content is also examined.     

Lead(II) Potentiometric Sensor Based on 1,4,8,11‐Tetrathiacyclotetradecane Neutral Carrier and Lipophilic Additives

A potentiometric sensor for lead(II) ions based on the use of 1,4,8,11‐tetrathiacyclotetradecane (TTCTD) as a neutral ionophore and potassium tetrakis‐(p‐chlorophenyl)borate as a lipophilic additive in plasticized PVC membranes is developed. The sensor exhibits linear potentiometric response towards lead(II) ions over the concentration range of 1.0×10^?5–1.0×10^?2 mol L^?1 with a Nernstian slope of 29.9 mV decade^?1 and a lower limit of detection of 2.2×10^?6 mol L^?1 Pb(II) ions over the pH range of 3–6.5. Sensor membrane without a lipophilic additive displays poor response. The sensor shows high selectivity for Pb(II) over a wide variety of alkali, alkaline earth and transition metal ions. The sensor shows long life span, high reproducibility, fast response and long term stability. Validation of the method by measuring the lower limit of detection, lower limit of linear range, accuracy, precision and sensitivity reveals good performance characteristics of the proposed sensor. The developed sensor is successfully applied to direct determination of lead(II) in real samples. The sensor is also used as an indicator electrode for the potentiometric titration of Pb(II) with EDTA and potassium chromate. The results obtained agree fairly well with data obtained by AAS.