Proposal for a Tool for Assessing Access to Water in Rural Communities: a Case Study in the Brazilian Semi-arid.

This paper proposes a Water Access Index (WAI). Using this tool, decision-makers can identify and prioritize areas that need state intervention to develop actions to guarantee rural population access to water. Thus, was carried out is a case study, rural communities in the semi-arid region of Brazil to validate the suggested method. The WAI is based on a combined method of multicriteria decision analysis (MCDA), Geographic Information System (GIS), cluster analysis (CA) using Ward's agglomeration method and participation of rural inhabitants. The data for calculating the WAI were obtained by conducting interviews following a script of themes in the structured questionnaire closed to 370 residents of the communities evaluated. To calculate the WAI, weightings were used, in which the scores of the indicators and the weights of the dimensions were determined and analyzed using the Delphi method, what found to be a valid method for calculating the dimensions and indicators weights. Due to difficulty of rural population to have water access and suffer from drought, the proposed model showed appropriate to conduct a robust and well-structured decision-making. The main contributions were the study in region suffering from drought and difficulty in water access, as well as the combination of MCDA, SIG, CA and participation of rural inhabitants methods to aid in this problem. For use in other areas, researchers need to conduct public and specialized consultations to adjust the dimension weights, so the WAI method can estimate the water access situation and generate maps anywhere in the world for decision-making.

Density functional theory for the thermodynamic gas-phase investigation of butanol biofuel and its isomers mixed with gasoline and ethanol.

Herein, we present the results of our study on the thermodynamic properties of the isomers of butanol (n-butanol, 2-butanol, i-butanol, and t-butanol) to evaluate their thermodynamic potential as a complementary biofuel and/or substitute for ethanol and gasoline. The Gaussian09W software was used to perform molecular geometry optimization calculations using density functional theory with the B3lyp hybrid function using the base set 6-311++g(d,p) and the compound methods G3, G4, and CBS-QB3. Calculations of the fundamental frequency of the molecules were performed to obtain the molecular vibration modes for the respective frequencies. These calculations provided thermodynamic parameters such as the entropy, enthalpy, and specific molar heat at constant pressure, all as a function of the temperature. The parameter values obtained by each method were compared to the experimental values available in the literature. The results showed good accuracy, especially those obtained at the B3lyp/6-311++g(d,p) level for n-butanol. The error between the theoretical and experimental values for the combustion enthalpy of n-butanol was less than 4% at 298.15 K; due to the good prediction of its thermodynamic properties, we used n-butanol as a model for the prediction of other thermodynamic properties. We started a molecular docking study of four ligands, namely, n-butanol, ethanol, propanol, heptane, isooctane, and methanol interacting with butanol isomers. The highest values of affinity energy found were for N-butanol. The possible formation of hydrogen bonds, associations by means of London forces, hydrogen, and alkyl interactions were analyzed. n-Butanol was added to ethanol-gasoline mixtures in the temperature range of 298.15 to 600 K and the results suggest that n-butanol has a higher calorific value than gasoline-ethanol mixtures in G30E, G40E, G50E, G60E, G70E, G80E, G90E, and E100 blends. As such, n-butanol releases greater amounts of heat during combustion and is thus a viable alternative to biofuels.

Modelagem Sísmica via métodos das diferenças finitas: caso da bacia do Amazonas / Seismic Modeling by finites difference method: case of Amazon basin

Este trabalho tem por objetivo apresentar os resultados da modelagem sísmica em meios com fortes descontinuidades de propriedades físicas, com ênfase na existência de difrações e múltiplas reflexões, tendo a Bacia do Amazonas como referência à modelagem. As condições de estabilidade e de fronteiras utilizadas no cálculo do campo de ondas sísmicas foram analisadas numericamente pelo método das diferenças finitas, visando melhor compreensão e controle da interpretação de dados sísmicos. A geologia da Bacia do Amazonas é constituída por rochas sedimentares depositadas desde o Ordoviciano até o Recente que atingem espessuras da ordem de 5 km. Os corpos de diabásio, presentes entre os sedimentos paleozóicos, estão dispostos na forma de soleiras, alcançam espessuras de centenas de metros e perfazem um volume total de aproximadamente 90000 Km³. A ocorrência de tais estruturas é responsável pela existência de reflexões múltiplas durante a propagação da onda sísmica o que impossibilita melhor interpretação dos horizontes refletores que se encontram abaixo destas soleiras. Para representar situações geológicas desse tipo foram usados um modelo (sintético) acústico de velocidades e um código computacional elaborado via método das diferenças finitas com aproximação de quarta ordem no espaço e no tempo da equação da onda. A aplicação dos métodos de diferenças finitas para o estudo de propagação de ondas sísmicas melhorou a compreensão sobre a propagação em meios onde existem heterogeneidades significativas, tendo como resultado boa resolução na interpretação dos eventos de reflexão sísmica em áreas de interesse. Como resultado dos experimentos numéricos realizados em meio de geologia complexa, foi observada a influência significativa das reflexões múltiplas devido à camada de alta velocidade, isto provocou maior perda de energia e dificultou a interpretação dos alvos. Por esta razão recomenda-se a integração de dados de superfície com os de poço...

This paper discusses the seismic modeling in medium with strong discontinuities in its physical properties. The approach takes in consideration the existences diffractions and multiple reflections in the analyzed medium, which, at that case, is the Amazon Basin. The stability and boundary conditions of modeling were analyzed by the method of the finite differences. Sedimentary rocks deposited since the Ordovician to the present, reaching depth up to 5 Km. The bodies of diabasic between the paleozoic sediments are layers reaching thickness of hundred meters, which add to 90.000 km3, form the geology of the Amazon Basin. The occurrence of these structures is responsible for multiple reflections during the propagation of the seismic waves, which become impossible a better imaging of horizons located bellow the layers. The representation this geological situation was performed an (synthetic) acoustic velocity model. The numerical discretization scheme is based in a fourth order approximation of the acoustic wave equation in space and time The understanding of the wave propagation heterogeneous medium has improved for the application of the finite difference method. The method achieves a good resolution in the interpretation of seismic reflection events. The numerical results discusses in this paper have allowed to observed the influence of the multiple reflection in a high velocity layer. It increase a loss of energy and difficult the interpretation of the target. For this reason the integration of surface data with the well data is recommended, with the objective to get one better image of the targets below of the diabasic layer.