Search results for "Thermodynamics"
showing 10 items of 2774 documents
Chapter 16 Pre-eruptive vapour and its role in controlling eruption style and longevity at Soufrière Hills Volcano
2014
We use volatiles in melt inclusions and nominally anhydrous phenocrysts, with volcanic gas flux and composition, and textural analysis of mafic inclusions to estimate the mass of exsolved vapour prior to eruption at Soufriere Hills Volcano (SHV). Pre-eruptive andesite coexists with exsolved vapour comprising 1.6–2.4 wt% of the bulk magma. The water content of orthopyroxenes indicates a zone of magma storage at pressures of approximately 200–300 MPa, whereas melt inclusions have equilibrated at shallower pressures. Inclusions containing >3 wt% H2O are enriched in CO2, suggesting flushing with CO2-rich gases. Intruding mafic magma contains >8 wt% H2O at 200–300 MPa. Rapid quenching is accompa…
Translocation of Cations During Sorption of Copper in the System Solution - Algae (Spirogyra sp.)/Translokacja Kationów Podczas Procesu Sorpcji Miedz…
2014
Zbadano kinetykę procesu sorpcji kationów miedzi w glonach Spirogyra sp. oraz towarzyszące mu procesy sorpcji kationów wodorowych i procesy uwalniania do roztworu kationów związanych w glonach: Na+, Mg2+, K+ i Ca2+. Stwierdzono, że w układzie statycznym, przy stałym stosunku masy glonów do objętości roztworu, procesy te zachodzą równocześnie, przy czym należy przypuszczać, że ilość uwalnianych soli ma wpływ na parametry heterofazowej równowagi wymiany jonowej. W warunkach prowadzenia eksperymentu ilość uwolnionych kationów była blisko 10-krotnie większa niż ilość kationów sorbowanych. Porównano parametry równowagi wyznaczone z modelu reakcji pseudo-drugiego rzędu z parametrami uzyskanymi po…
Heat capacity and thermal conductivity of multiferroics Bi1-xPrxFeO3
2019
The heat capacity and thermal conductivity of multiferroics Bi1–xPrxFeO3 (0 ≤ x ≤ 0.50) has been studied in the temperature range of 130–800 K. A slight substitution of praseodymium for bismuth is found to lead to a noticeable shift of the antiferromagnetic phase transition temperature whilst the heat capacity increases. The temperature dependences of the heat capacity and thermal conductivity exhibit additional anomalies during phase transitions. The experimental results suggest that the excess heat capacity can be attributed to the Schottky effect for three-level states. The basic mechanisms of the heat transfer of phonons are highlighted and the dependence of the mean free path on temper…
Low temperature heat capacity of phononic crystal membranes
2016
Phononic crystal (PnC) membranes are a promising solution to improve sensitivity of bolometric sensor devices operating at low temperatures. Previous work has concentrated only on tuning thermal conductance, but significant changes to the heat capacity are also expected due to the modification of the phonon modes. Here, we calculate the area-specific heat capacity for thin (37.5 - 300 nm) silicon and silicon nitride PnC membranes with cylindrical hole patterns of varying period, in the temperature range 1 - 350 mK. We compare the results to two- and three-dimensional Debye models, as the 3D Debye model is known to give an accurate estimate for the low-temperature heat capacity of a bulk sam…
Complexes of Glycolic Acid with Nitrogen Isolated in Argon Matrices. I. Structures and Thermal Effects.
2019
Molecular complexes between glycolic acid and nitrogen were studied in a low-temperature argon matrix with FTIR spectroscopy, and supported by MP2 and BLYPD3 calculations. The calculations indicate 11 and 10 stable complex structures at the MP2 and BLYPD3 levels of theories, respectively. However, only one hydrogen-bonded complex structure involving the most stable SSC conformer of glycolic acid was found experimentally, where the nitrogen molecule is bound with the carboxylic OH group of the SSC conformer. The complex shows a rich site structure variation upon deposition of the matrix in different temperatures and upon annealing experiments, which provide interesting prospects for site-sel…
Optimal Heating of an Indoor Swimming Pool
2020
This work presents the derivation of a model for the heating process of the air of a glass dome, where an indoor swimming pool is located in the bottom of the dome. The problem can be reduced from a three dimensional to a two dimensional one. The main goal is the formulation of a proper optimization problem for computing the optimal heating of the air after a given time. For that, the model of the heating process as a partial differential equation is formulated as well as the optimization problem subject to the time-dependent partial differential equation. This yields the optimal heating of the air under the glass dome such that the desired temperature distribution is attained after a given…
Broad-band Spectral Evolution of Scorpius X-1 along its Color-Color Diagram
2007
We analyze a large collection of RXTE archive data from April 1997 to August 2003 of the bright X-ray source Scorpius X-1 in order to study the broadband spectral evolution of the source for different values of the inferred mass accretion rate by studying energy spectra from selected regions in the Z-track of its Color-Color Diagram. A two-component model, consisting of a soft thermal component interpreted as thermal emission from an accretion disk and a thermal Comptonization component, is unable to fit the whole 3--200 keV energy spectrum at low accretion rates. Strong residuals in the highest energy band of the spectrum require the addition of a third component that can be fitted with a …
Structural Origin of Metal Specificity in Isatin Hydrolase from Labrenzia aggregata Investigated by Computer Simulations.
2017
We performed quantum-chemical calculations, ab initio molecular dynamics, hybrid quantum mechanics/molecular mechanics (QM/MM) and enhanced sampling metadynamics simulations to investigate the origin of metal specificity in isatin hydrolase from Labrenzia aggregata. The peculiar octahedral binding geometry of the Mn2+ ion in the Michaelis complex includes both the isatin substrate and the catalytic water within the first coordination shell of the cation. Our calculations show that the same arrangement of the ligands cannot be efficiently achieved in the presence of other small divalent metal cations such as Zn2+ or Cu2+ . On the contrary, bulkier alkaline-earth cations such as Mg2+ , which …
Modeling of surface vs. bulk ionic conductivity in fixed charge membranes
2003
A two-region model for describing the conductivity of porous fixed charge membranes is proposed. In the surface region, the conductivity is due to the mobile positive ions (counterions) around the negative fixed charges. In the pore center region, the conductive properties resemble those of the external electrolyte solution because the fixed charges are assumed to be effectively neutralized by the counterions in the surface region. Activation energies and surface diffusion coefficients are estimated by assuming that the counterion jump from a fixed charge group is the rate limiting process for surface transport. The barrier energy for this jump is calculated using a simple electrostatic mod…
Hydration dependence of myoglobin dynamics studied with elastic neutron scattering, differential scanning calorimetry and broadband dielectric spectr…
2014
In this work we present a thorough investigation of the hydration dependence of myoglobin dynamics. The study is performed on D2O-hydrated protein powders in the hydration range 0<h<0.5 (h≡gr[D2O]/gr[protein]) and in the temperature range 20-300K. The protein equilibrium fluctuations are investigated with Elastic Neutron Scattering using the spectrometer IN13 at ILL (Grenoble), while the relaxations of the protein + hydration water system are investigated with Broadband Dielectric Spectroscopy; finally, Differential Scanning Calorimetry is used to obtain a thermodynamic description of the system. The effect of increasing hydration is to speed up the relaxations of the myoglobin + hydration …