949 resultados para ab initio quantum chemical method and calculations
Resumo:
Erosion potential and the effects of tillage can be evaluated from quantitative descriptions of soil surface roughness. The present study therefore aimed to fill the need for a reliable, low-cost and convenient method to measure that parameter. Based on the interpretation of micro-topographic shadows, this new procedure is primarily designed for use in the field after tillage. The principle underlying shadow analysis is the direct relationship between soil surface roughness and the shadows cast by soil structures under fixed sunlight conditions. The results obtained with this method were compared to the statistical indexes used to interpret field readings recorded by a pin meter. The tests were conducted on 4-m2 sandy loam and sandy clay loam plots divided into 1-m2 subplots tilled with three different tools: chisel, tiller and roller. The highly significant correlation between the statistical indexes and shadow analysis results obtained in the laboratory as well as in the field for all the soil?tool combinations proved that both variability (CV) and dispersion (SD) are accommodated by the new method. This procedure simplifies the interpretation of soil surface roughness and shortens the time involved in field operations by a factor ranging from 12 to 20.
Resumo:
A one-step extraction procedure and a leaching column experiment were performed to assess the effects of citric and tartaric acids on Cu and Zn mobilization in naturally contaminated mine soils to facilitate assisted phytoextraction. A speciation modeling of the soil solution and the metal fractionation of soils were performed to elucidate the chemical processes that affected metal desorption by organic acids. Different extracting solutions were prepared, all of which contained 0.01 M KNO3 and different concentrations of organic acids: control without organic acids, 0.5 mM citric, 0.5 mM tartaric, 10 mM citric, 10 mM tartaric, and 5 mM citric +5 mM tartaric. The results of the extraction procedure showed that higher concentrations of organic acids increased metal desorption, and citric acid was more effective at facilitating metal desorption than tartaric acid. Metal desorption was mainly influenced by the decreasing pH and the dissolution of Fe and Mn oxides, not by the formation of soluble metal–organic complexes as was predicted by the speciation modeling. The results of the column study reported that low concentrations of organic acids did not significantly increase metal mobilization and that higher doses were also not able to mobilize Zn. However, 5–10 mM citric acid significantly promoted Cu mobilization (from 1 mg kg−1 in the control to 42 mg kg−1 with 10 mM citric acid) and reduced the exchangeable (from 21 to 3 mg kg−1) and the Fe and Mn oxides (from 443 to 277 mg kg−1) fractions. Citric acid could efficiently facilitate assisted phytoextraction techniques.
Resumo:
The new Spanish Regulation in Building Acoustic establishes values and limits for the different acoustic magnitudes whose fulfillment can be verify by means field measurements. In this sense, an essential aspect of a field measurement is to give the measured magnitude and the uncertainty associated to such a magnitude. In the calculus of the uncertainty it is very usual to follow the uncertainty propagation method as described in the Guide to the expression of Uncertainty in Measurements (GUM). Other option is the numerical calculus based on the distribution propagation method by means of Monte Carlo simulation. In fact, at this stage, it is possible to find several publications developing this last method by using different software programs. In the present work, we used Excel for the Monte Carlo simulation for the calculus of the uncertainty associated to the different magnitudes derived from the field measurements following ISO 140-4, 140-5 and 140-7. We compare the results with the ones obtained by the uncertainty propagation method. Although both methods give similar values, some small differences have been observed. Some arguments to explain such differences are the asymmetry of the probability distributions associated to the entry magnitudes,the overestimation of the uncertainty following the GUM