Search results for "THERMODYNAMICS"

Thermodynamics of hydronium and hydroxide surface solvation.

2014

[Introduction] The concentration of hydronium and hydroxide at the water-air interface has been under debate for a long time. Recent evidence from a range of experiments and theoretical calculations strongly suggests the water surface is somewhat acidic. Using novel polarizable models we have performed potential of mean force calculations of a hydronium ion, a hydroxide ion and a water molecule in a water droplet and a water slab and we were able to rationalize that hydronium, but not hydroxide, is slightly enriched at the surface for two reasons. First, because the hydrogen-bond acceptance capacity of hydronium is weaker than water it is more favorable to have the hydronium oxygen on the s…

Strong thermal nonequilibrium in hypersonic CO and CH4 probed by CRDS

2015

A new experimental setup coupling a High Enthalpy Source (HES) reaching 2000 K to a cw-cavity ring-down spectrometer has been developed to investigate rotationally cold hot bands of polyatomic molecules in the [1.5, 1.7] μm region. The rotational and vibrational molecular degrees of freedom are strongly decoupled in the hypersonic expansion produced by the HES and probed by cavity ring-down spectroscopy. Carbon monoxide has been used as a first test molecule to validate the experimental approach. Its expansion in argon led to rotational and vibrational temperatures of 6.7 ± 0.8 K and 2006 ± 476 K, respectively. The tetradecad polyad of methane (1.67 μm) was investigated under similar condit…

The operating cost of an anaerobic membrane bioreactor (AnMBR) treating sulphate-rich urban wastewater

2014

The objective of this study was to evaluate the operating cost of an anaerobic membrane bioreactor (AnMBR) treating sulphate-rich urban wastewater (UWW) at ambient temperature (ranging from 17 to 33 degrees C). To this aim, energy consumption, methane production, and sludge handling and recycling to land were evaluated. The results revealed that optimising specific gas demand with respect to permeate volume (SGDp) and sludge retention time (for given ambient temperature conditions) is essential to maximise energy savings (minimum energy demand: 0.07 kW h m(-3)). Moreover, low/moderate sludge productions were obtained (minimum value: 0.16 kg TSS kg(-1) CODRemoved), which further enhanced the…

Nonazeotropy in the System Methyl Ethanoate + 1,2-Epoxybutane

1997

New vapor−liquid equilibrium data for the binary system methyl ethanoate + 1,2-epoxybutane are reported at 35 and 101.3 kPa and at 298.15 K. It is shown that no azeotropes are present in the system, in disagreement with data reported by others who claim that two azeotropes are present at 298.15 K. We claim that previously reported data are in error because of impurities in the reagents and experimental errors. According to our results, the system methyl ethanoate + 1,2-epoxybutane behaves like a regular solution and its vapor phase can be considered practically ideal so that it cannot fulfill the necessary conditions for multiple azeotropy. The data were satisfactorily correlated using the …

ChemInform Abstract: A Photochemical One-Pot Three-Component Synthesis of Tetrasubstituted Imidazoles.

2015

α-(alkylideneamino)nitriles generated in situ from α-aminonitriles and aldehydes react with acylaziridines formed in situ by photochemical ring transformation of isoxazoles.

Water and carbon oxides on monoclinic zirconia: experimental and computational insights

2014

Zirconium oxide (ZrO2, zirconia) is an interesting catalytic material to be used in biomass conversion, e.g., gasification and reforming. In this work, we show that reducing and hydrating pretreatments affect the surface sites on monoclinic zirconia. The multitechnique approach comprises temperature-programmed surface reactions (TPSR) under CO and CO2 at 100-550 °C, in situ DRIFTS investigations of the surface species and density functional theory (DFT) calculations. The key findings of the work are: (1) formates are formed either directly from gas-phase CO on terminal surface hydroxyls or via the linear CO surface species that are found exclusively on the reduced zirconia without water tre…

A Three-Component Palladium-Catalyzed Oxidative CC Coupling Reaction: A Domino Process in Two Dimensions

2013

Influence of greenhouse different coverings on chemical and physical risk factors

2005

Crop production in greenhouses needs the use of chemicals and requires high levels of temperature and relative humidity to assure the increasing of crop production. This can cause risks for the health of the operators, especially if they are not equipped with protection devices. The risks may also vary with the type and/or size and/or shape of the protected structures. In order to determine the influence of different coverings on type and amount of risks, chemical and physical risk factors were measured inside greenhouses with different cladding materials (glass panels and plastic films) after crop management. In these two different greenhouses typologies, that were similar for location and…

An Analysis of the Intertial Response of Small Isolated Power Systems in Presence of Generation from Renewable Energy Sources

2018

Renewable Energy Sources are posing critical issues related to the mining of power systems stability, essentially due to a decrement of the inertial response during system's contingencies. As a consequence, to preserve the security and the reliability of the system, it is necessary to adopt new frequency adjustments mechanisms. This issue becomes particularly critical in isolated power systems, like those of small islands not supplied by the main grid, in the case of high shares of production from unpredictable renewabies such as photovoitaic and wind sources. In this framework, the present work deals with the analysis of the variation of the inertia time constant of a small island in vario…

Compensating for instantaneous signal mixing in transfer entropy analysis of neurobiological time series

2013

The transfer entropy (TE) has recently emerged as a nonlinear model-free tool, framed in information theory, to detect directed interactions in coupled processes. Unfortunately, when applied to neurobiological time series TE is biased by signal cross-talk due to volume conduction. To compensate for this bias, in this study we introduce a modified TE measure which accounts for possible instantaneous effects between the analyzed time series. The new measure, denoted as compensated TE (cTE), is tested on simulated time series reproducing conditions typical of neuroscience applications, and on real magnetoencephalographic (MEG) multi-trial data measured during a visuo-tactile cognitive experime…