第二类Fredholm积分方程的泰勒展开解法

本进一步发展了用Taylor公式求解第二类Fredholm积分方程的方法，并给出了近似解的误差精度分析．     

Determination of colloidally-associated polycyclic aromatic hydrocarbons (PAHs) in fresh water using C18 solid phase extraction disks

A new application of reversed-phase octadecyl (C₁₈) solid phase extraction disks has been developed to separate the colloidally-associated polycyclic aromatic hydrocarbons (PAHs) from those that were truly dissolved in the samples of fresh water. A correction for the retention of small amounts of colloidal material on the C₁₈ disks was required, which would have otherwise lead to minor underestimates in the degree of partitioning between the two phases. Using the humic substance Aldrich Humic Acid (AHA) as a model colloid and the 16 PAHs on the US Enrivonmental Protection Agency priority pollutant list, the partitioning coefficients of the PAHs between the colloidal and truly dissolved phases were shown to be proportional to the hydrophobicity of the PAHs, as measured by their octanol water partition coefficients (K_ow). The values for the partition coefficients obtained (cK_doc′) were similar to those previously reported in the literature using alternative methods, confirming that the technique was producing acceptable results. The technique allows the in situ partitioning of PAHs between the truly dissolved and colloidal phases in fresh water bodies to be determined. It will provide an invaluable cross-check of the laboratory-based methods which often require substantial manipulation of the sample and potentially alter the partitioning between the phases.     

New results for virial coefficients of hard spheres inD dimensions

We present new results for the virial coefficientsB _k for κ<- 10 for hard spheres in dimensionsD = 2,..., 8.     

Synthesis of Methyl 2-(5-Arylidene-2,4-dioxotetrahydrothiazol-3-yl)propionates

A series of methyl 2-(arylidene-2,4-dioxotetrahydrothiazol-3-yl)propionates were prepared. A study of the 3D structure was performed. The log P values are given for all the synthesized compounds.     

Zur Synthese und Struktur von K3N

Synthesis and Structure of K₃N Two phases in the binary system K/N have been obtained via co‐deposition of potassium and nitrogen onto polished sapphire at 77 K and subsequent heating to room temperature. The powder diffraction pattern of one of these phases can be satisfactorily interpreted by assuming the composition K₃N, and the anti‐TiI₃ structure‐type, which is also adopted by Cs₃O. The resulting hexagonal lattice constants are: a = 779.8(2), c = 759.2(9) pm, Z = 2, P6₃/mcm. Comparison with possible structures of K₃N generated by computational methods and refined at Hartree‐Fock‐ and DFT level, reveals that the energetically most favoured structure has not formed (presumable Li₃P‐type), but instead one of those with very low density. In this respect, the findings for K₃N are analogous to the results on Na₃N. The thermal evolution of the deposited starting mixture has been investigated. Hexagonal K₃N transforms to another K/N phase at 233 K. Its XRD can be fully indexed resulting in an orthorhombic cell a = 1163, b = 596, c = 718 pm. Decomposition leaving elemental potassium as the only residue occurs at 263 K.     

逻辑函数最大项展开式和CRM展开式的转换

在逻辑函数的CRM展开式和两种新运算基础上，对函数量大项展开系数和CRM展开系统(dj系数)之间的关系作了较详细的讨论，并提出了两者的矩阵转换法，快速转换法和直接代入转换法，具备较好的实用性．     

Molar extinction coefficients of solutions of some organic compounds

Molar extinction coefficients of aqueous solutions of some organic compounds, viz. formamide (CH₃NO),N-methylformamide (C₂H₅NO),NN-dimethylformamide (C₃H₇NO),NN-dimethylacetamide (C₄H₉NO), 1,4-dioxane (C₄H₈O₂₄), succinimide (C₄H₅NO₂) and solutions of acetamide (C₂H₅NO) and benzoic acid (C₇H₆O₂) in 1,4-dioxane (C₄H₈O₂) have been determined by narrow beam γ-ray transmission method at 81, 356, 511, 662, 1173 and 1332 keV. The experimental values of mass attenuation coefficients of these compounds have been used to calculate effective atomic numbers and electron densities. The additivity rule earlier used for aqueous solution has been extended to non-aqueous (1,4-dioxane) solutions.     

逻辑函数在布尔减-异或、布尔除-符合代数系统中的规范展开式

证明了布尔减、异或运算以及布尔除、符合运算的完备性,并从与-异或及或-符合代数系统中的RM、CRM展开式出发,分别推导了任意逻辑函数在布尔减-异或及布尔除-符合代数系统中的规范展开式.举例说明了与-或-非代数系统中规范展开式与布尔减-异或、布尔除-符合代数系统中的规范展开式之间的转换.     

Determination of Hydrogen Single Ion Activity Coefficients in Aqueous HCl Solutions at 25°C

The single ion activity coefficients of hydrogen and chloride ions in aqueous HCl solutions have been estimated at 25°C at concentrations up to 1 mol-kg^–1, using potentiometric measurements with ion-selective electrodes and appropriate calibration procedures. Two methods are described for an internal calibration of the electrodes in the extended Debye–Hückel concentration range. The results are compared to the conventional pH calibration with external buffer solutions. Since the latter calibration method does not account for the liquid junction potential E _J which arises at the reference electrode, the resulting activity coefficients are quite different in HCl solutions of higher concentration. These differences between internal and external calibration decrease significantly, when a correction for E _J is introduced into the conventional pH calibration. Hence, in solutions of higher ionic strength the accuracy of the conventional pH electrode calibration using buffer solutions is very limited, when exact H⁺ activities are required. The consistency of the results indicates that the liquid junction potentials in the examined systems calculated by the Henderson/Bates approximation are of reasonable precision.     

Temperature dependence of pressure broadening of NH3 perturbed by H2 and N2

The temperature dependence of pressure broadening of 134 rovibrational transitions of several branches in the ν₄ and 2ν₂ bands of ammonia perturbed by H₂ and N₂ has been measured using a high-resolution Fourier transform spectrometer. The temperature range covered during the experiments was between 235 and 296 K. The pressure-broadening linewidths were obtained using the method of multipressure fitting to the measured shapes of the lines. These broadenings were also calculated using a semiclassical model leading to a reasonable agreement with the observations and reproduces well the strong systematic experimental J and K quantum number dependencies. The retrieved values of the linewidths, along with those previously determined from the spectra at room temperature, were used to derive the temperature dependence of both H₂ and N₂ broadening of NH₃ lines. The broadening coefficients were shown to fit closely the well-known exponential law. For both experimental and theoretical results, the temperature exponent n has been obtained. Careful inspection of the experimental values shows that, contrary to the linewidths, the coefficient n is nearly K independent within each J multiplet. Also for a given J it does not seem to exhibit any noticeable variation with the type of rotational transition. On the other hand, the calculated n values exhibit a strong J and K systematic dependencies. n increases with K for a given J, decreases with J for a given K and are independent of the type of rotational transition.