870 research outputs found

    Experimental and numerical analysis of a CO2 dual-source heat pump with PVT evaporators for residential heating applications

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    Multi-source energy systems are a promising solution to lower the environmental impact of the heating and cooling sector and enhance the exploitation of renewable energy sources. In this context, dual-source solar-assisted heat pumps exploit solar energy and air as the low-temperature heat sources. However, the efficiency of solar-based systems is strictly related to weather conditions, location, and time. Therefore, there is a need for accurate models to be used in dynamic simulations of these systems and perform detailed performance analyses and study the involved energy flows. This paper presents an experimental and numerical investigation of a direct-expansion solar-assisted heat pump (DX-SAHP) operating with CO2 as the refrigerant. The heat pump prototype can work with an air-finned coil heat exchanger or photovoltaic-thermal (PVT) solar collectors as the evaporator. The solar-mode configuration allows the exploitation of the heat from solar radiation to evaporate the refrigerant and to improve the photovoltaic electricity production due to the cooling of the cells up to 8%. A numerical heat pump model, integrated with novel gas-cooler and PVT collectors models, has been developed and implemented as a TRNSYS type for dynamic simulations of the system. The model has been validated with continuous measurements during the heat pump operation in solar and air modes. The proposed model can be used for performing seasonal simulations of a heat pump operating with a transcritical CO2 cycle. Moreover, the outcomes of the analysis show how the configuration of a CO2 heat pump with a direct-expansion air-finned coil heat exchanger or PVT can be used to enhance the performance of the heat pump and increase the electrical efficiency of the photovoltaic cells

    A Joint Venture of Ab Initio Molecular Dynamics, Coupled Cluster Electronic Structure Methods, and Liquid-State Theory to Compute Accurate Isotropic Hyperfine Constants of Nitroxide Probes in Water

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    The isotropic hyperfine coupling constant (HFCC, Aiso) of a pH-sensitive spin probe in a solution, HMI (2,2,3,4,5,5-hexamethylimidazolidin-1-oxyl, C9H19N2O) in water, is computed using an ensemble of state-of-the-art computational techniques and is gauged against X-band continuous wave electron paramagnetic resonance (EPR) measurement spectra at room temperature. Fundamentally, the investigation aims to delineate the cutting edge of current first-principles-based calculations of EPR parameters in aqueous solutions based on using rigorous statistical mechanics combined with correlated electronic structure techniques. In particular, the impact of solvation is described by exploiting fully atomistic, RISM integral equation, and implicit solvation approaches as offered by ab initio molecular dynamics (AIMD) of the periodic bulk solution (using the spin-polarized revPBE0-D3 hybrid functional), embedded cluster reference interaction site model integral equation theory (EC-RISM), and polarizable continuum embedding (using CPCM) of microsolvated complexes, respectively. HFCCs are obtained from efficient coupled cluster calculations (using open-shell DLPNO-CCSD theory) as well as from hybrid density functional theory (using revPBE0-D3). Re-solvation of “vertically desolvated” spin probe configuration snapshots by EC-RISM embedding is shown to provide significantly improved results compared to CPCM since only the former captures the inherent structural heterogeneity of the solvent close to the spin probe. The average values of the Aiso parameter obtained based on configurational statistics using explicit water within AIMD and from EC-RISM solvation are found to be satisfactorily close. Using either such explicit or RISM solvation in conjunction with DLPNO-CCSD calculations of the HFCCs provides an average Aiso parameter for HMI in aqueous solution at 300 K and 1 bar that is in good agreement with the experimentally determined one. The developed computational strategy is general in the sense that it can be readily applied to other spin probes of similar molecular complexity, to aqueous solutions beyond ambient conditions, as well as to other solvents in the longer run

    Anthocyanin composition of young red wine cv. Ruby Cabernet and Syrah: effect of time and storage conditions.

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    The aim of this study was to evaluate the evolution of anthocyanins in red wines for 12 months of storage in bottles in two different conditions. The wine samples cv. Ruby Cabernet and cv. Syrah (Vitis vinifera L.) used for this study were produced in the Sub-middle São Francisco Valley, in the Northeast Region of Brazil, during the 2013 harvest

    Anthocyanin composition of young red wine cv. Ruby Cabernet and Syrah: effect of time and storage conditions.

    Get PDF
    The aim of this study was to evaluate the evolution of anthocyanins in red wines for 12 months of storage in bottles in two different conditions. The wine samples cv. Ruby Cabernet and cv. Syrah (Vitis vinifera L.) used for this study were produced in the Sub-middle São Francisco Valley, in the Northeast Region of Brazil, during the 2013 harvest

    PLANEJAMENTO TRIBUTÁRIO NUMA EMPRESA DE COMÉRCIO DE INSUMOS AGRÍCOLAS: UM ESTUDO DE CASO

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    Um correto planejamento tributário depende de uma contabilidade fidedigna, ou seja,a mesma deve seguir as normas e princípios contábeis normalmente aceitos.Dessa forma o presente trabalho é um estudo de caso de planejamento tributário,realizado na empresa Boa Colheita Ltda. Através da pesquisa bibliográfica,procurou-se atender o objetivo do estudo, que era buscar a melhor forma detributação do imposto de renda e contribuição social sobre o lucro líquido para aempresa. Durante o estudo, foram levantados dados junto à empresa, como as suasreceitas auferidas, os custos e despesas incorridos, através das suasdemonstrações contábeis. Após o levantamento dos dados, foram efetuados oscálculos dos impostos seja pelo Lucro Real ou pelo Lucro Presumido

    Rapid determination of flavonoids and phenolic acids in grape juices and wines by RP-HPLC/DAD: Method validation and characterization of commercial products of the new Brazilian varieties of grape.

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    A method for rapid determination of phenolic compounds by reversed-phase high-performance liquid chromatography (RP-HPLC), using a new column of faster resolution was validated and used to characterize commercial products produced with new grape Brazilian varieties of Northeast of Brazil. The in vitro antioxidant activity was also measured. The method showed linearity (R > 0.9995), good precision (CV% < 2.78), recovery (91.8?105.1%) and limits of detection (0.04?0.85 mg L-1 ) and quantification (0.04?1.41 mg L-1 ) according to other methods previously published with the difference of a run time of only 25 min. The results obtained in the characterization of the samples differed for juices and wines from other world regions, mainly because of the high values of (-)-epigallocatechin and trans-caftaric acid. The products analyzed showed high antioxidant activity, especially the wine samples with values higher than those from wines of different regions of the worl

    Selective Synthesis of a Salt and a Cocrystal of the Ethionamide-Salicylic Acid System

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    Herein is presented a rare example of salt/cocrystal polymorphism involving the adduct between ethionamide (ETH) and salicylic acid (SAL). Both the salt and cocrystal forms have the same stoichiometry and composition and are both stable at room temperature. The synthetic procedure was successfully optimized in order to selectively obtain both polymorphs. The two adducts' structures were thoroughly investigated by means of single-crystal X-ray diffraction, solid-state NMR spectroscopy, and density functional theory (DFT) calculations. From the solid-state NMR point of view, the combination of mono- and multinuclear experiments (1H MAS, 13C and 15N CPMAS, 1H-{14N} D-HMQC, 1H-14N PM-S-RESPDOR) provided undoubted spectroscopic evidence about the different positions of the hydrogen atom along the main N\ub7\ub7\ub7H\ub7\ub7\ub7O interaction. In particular, the 1H-14N PM-S-RESPDOR allowed N-H distance measurements through the 1H detected signal at a very high spinning speed (70 kHz), which remarkably agree with those derived by DFT optimized X-ray diffraction, even on a natural abundance real system. The thermodynamic relationship between the salt and the cocrystal was inquired from the experimental and computational points of view, enabling the characterization of the two polymorphs as enantiotropically related. The performances of the two forms in terms of dissolution rate are comparable to each other but significantly higher with respect to the pure ETH
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