Charged polaron-enhanced circular dichroism of optically nonlinear 3-nitroaniline crystal

The circular dichroism (CD) spectra in visible range of the 3-nitroaniline (m-NA) single crystal, of its solution in chloroform, and in the KBr pellet were recorded. Neither the molecular (m or C_s) nor the crystal (mm2 or C_2v) point groups belong to the chiral groups. The DFT calculation of CD spectrum of the m-NA isolated neutral molecule confirmed its chirality. The red shifted bands in the calculated CD spectrum of m-NA radical anion (charged polaron), as compared with the neutral molecule, resemble better the spectra of solids than that of the solution. It seems that these facts corroborate qualitatively the “hop and turn” model explaining the m-NA optical nonlinearity and electric conductivity proposed in Szostak et al. [M.M. Szostak, H. Chojnacki, E. Staryga, M. D?u?niewski, G. B?k, Chem. Phys. 365 (2009) 44-52].     

Influence of soil moisture on the results of surface geochemical survey applied to petroleum exploration

The quality of results obtained from surface geochemical exploration depends not only on the character of deep petroleum accumulations but also on the influence of many sub-surface factors. One of important factors is the presence of soil moisture in the sampling interval. This research presents the influence of soil moisture on concentrations of gaseous hydrocarbons in sampled soil gases. The comparative analysis was made on for two populations of gaseous hydrocarbon (methane, ethane, propane, i-butane, n-butane, propylene, 1-butene) concentrations measured in soil gas samples collected from the water-saturated (“wet” sampling interval) and water-free (“dry” sampling interval) environments. The comparison was based upon chromatographic analyses of 2974 samples of soil gas, in which 684 samples originated from “wet” sampling intervals and 2290 samples were taken from “dry” interval. Samples were collected in the areas of known gas deposits located in the Fore-sudetic Monocline (SW Poland). Samples collected from the “wet” intervals reveal higher concentrations of almost all analyzed hydrocarbons in comparison with samples from “dry” intervals. Highest differences were observed for methane concentrations and lowest — for total alkanes C₂–C₄. The increase of concentrations in “wet” sampling intervals can be explained by sub-surface accumulation of hydrocarbons caused by decreasing permeability of water-saturated soils, by the different solubilities of alkanes and alkenes in water as well as by recent generation of methane and alkenes. Considering the results obtained from the area of the Tarchaly gas deposit, it was found that surface pattern of methane anomalies does not reflect the presence of deep gas accumulations, as well as the total alkanes C₂–C₄ distribution. Hence, the procedure was proposed of elimination of soil moisture influence on the pattern of surface methane anomalies. The procedure includes normalization of measured methane concentrations to the reference levels of geochemical background, which characterize “wet” and “dry” sampling intervals. As a result, the distribution of anomalous methane concentrations was obtained, which, along with the distribution of total alkanes C₂–C₄, confirms the presence of assessed accumulation of gaseous hydrocarbons. Therefore, the proposed method is correct and supports the application of methane indicator as a petroleum exploration tool.     

Novel approach for measuring the effective shear modulus of porous materials

A new approach is proposed for the experimental study of the effective shear modulus of porous elastic materials using the uniaxial tension test. The idea is to measure strains at a few points surrounding a cluster of holes that represents the structure of the material. The representative cluster is placed in the material with the same elastic properties as those of the matrix. The measured strains lead to the properties of the equivalent circular inhomogeneity, which would produce the same elastic fields as from the cluster. An aluminum plate containing a cluster of seven circular or hexagonal holes was used. The effective shear modulus obtained from the strain data was compared with theoretical predictions and various bounds, and it was shown that the laboratory estimated values are quite accurate. The experimental technique can be used for the determination of the effective Poisson’s ratio of porous media and/or cellular solids if more detailed strain data are obtained.     

Study of spray cooling of a pressure vessel head of a boiling water reactor

The present paper deals with a theoretical analysis of the spray cooling of a Reactor Pressure Vessel (RPV) head in a Boiling Water Reactor (BWR). To this end a detailed computational model has been developed. The model predicts the trajectories, diameters and temperatures of subcooled droplets moving in saturated vapor. The model has been validated through comparison with experimental data, in which droplet temperatures were measured as functions of the distance that they cover in saturated vapor from the moment they leave the sprinkler outlet to the moment they impact on the RPV head inner wall. The calculations are in very good agreement with measurements, confirming the model adequacy for the present study. The model has been used for a parametric study to investigate the influence of several parameters on the cooling efficiency of the spray system. Based on the study it has been shown that one of the main parameters that govern the temperature increase in a subcooled droplet is its initial diameter. Comparisons are also made between conclusions from the theoretical model and observations made through flow and temperature measurements in the plant (Forsmark 1 and 2). One of these observations is that the rate at which the RPV head temperature decreases on the way down from hot to cold standby is constant and independent of the sprinkling flow rate as long as the flow rate is above a certain minimum value. Accordingly, the theoretical model shows that if one assumes that the cooling of the RPV head is through a water film built on the inner wall due to sprinkling, the heat removal rate is only very weakly dependent on the sprinkling flow rate.     

Anthocyanins,total polyphenols and antioxidant activity in amaranth and quinoa seeds and sprouts during their growth

Total antioxidant capacity, total phenolic contents (TP) and anthocyanins contents (ANT) were determined in Amaranthus cruentus and Chenopodium quinoa seeds and sprouts. Antioxidant activity of the investigated seeds decreased in the following order: quinoa, amaranth v. Rawa, amaranth v. Aztek for FRAP and quinoa, amaranth v. Aztek, amaranth v. Rawa for both ABTS and DPPH. Sprouts activity depended on the length of their growth, and the peak values were reached on the fourth day in the case of amaranth and on the sixth day in the case of quinoa. The data obtained by the three methods showed significant correlation between TP content in seeds and sprouts. In sprouts grown in the daylight and in the darkness we observed some significant changes of TP, ANT and antioxidant activity. Amaranth and quinoa seeds and sprouts can be used in food, because it is a good source of ANT and TP with high antioxidant activity.     

Circulating fluid-bed reactor for coal pyrolysis

A high temperature coal pyrolysis reactor was developed and its operation demonstrated on a scale of 8 t/h. Pyrolysis is performed in a circulating fluidized bed reactor at 850–950°C. The developed process was integrated into smokeless fuel production technology and tested. Experimental data and reactor performance are presented.     

Thin plate elements with relaxed Kirchhoff constraints

An analysis of thin plates by C⁰ elements is presented. The fundamental part of it is the formulation of a set of constraints that relate the rotational degrees of freedom to the translational degrees of freedom and which are weaker than the usual Kirchhoff constraints. A penalty term associated with these constraints is then introduced instead of the usual expression for the shear strain energy. It is shown that the approach is effective for both quadrilateral and triangular elements.     

The thermal behaviour of lignins modified by chlorophosphazenes

The thermal behaviour in air of lignins modified by chlorophosphazenes as well as that of the raw materials of lignins has been investigated using thermogravimetry (TG), derivative thermogravimetry (DTG) and differential thermal analysis (DTA). The thermogravimetry and derivative thermogravimetry studies of lignins modified by chlorophosphazenes have shown their thermal resistance to be relatively higher than that of the intital raw materials of lignins in concrete kraft lignin and sodium ligninosulfonate. The differential thermal studies have demonstrated that the thermal degradation of products investigated takes place via exothermic processes. The lignins modified by chlorophosphazenes have been shown to be thermal and flame-resistant materials.