Search results for "isothermal"
showing 10 items of 212 documents
Structure of SNX9 SH3 in complex with a viral ligand reveals the molecular basis of its unique specificity for alanine-containing class I SH3 motifs
2021
Class I SH3 domain-binding motifs generally comply with the consensus sequence [R/K]x0PxxP, the hydrophobic residue 0 being proline or leucine. We have studied the unusual 0 = Ala-specificity of SNX9 SH3 by determining its complex structure with a peptide present in eastern equine encephalitis virus (EEEV) nsP3. The structure revealed the length and composition of the n-Src loop as important factors determining specificity. We also compared the affinities of EEEV nsP3 peptide, its mutants, and cellular ligands to SNX9 SH3. These data suggest that nsP3 has evolved to minimize reduction of conformational entropy upon binding, hence acquiring stronger affinity, enabling takeover of SNX9. The R…
Isothermal equation of state and phase stability of Fe 5 Si 3 up to 96 GPa and 3000 K
2017
The composition of Earth's core has first-order implications for understanding the thermal and chemical history of the deep Earth. The present work measures the pressure-volume equation of state of Fe5Si3 to 96 GPa in a diamond anvil cell using noble gas pressure media and demonstrates that Fe5Si3 is not stable at high temperature and pressure, but reappears during thermal quench. The isothermal equation of state at ambient temperature of Fe5Si3 is given by the bulk modulus KT,0 = 167 (8) and KT,0' = 5.1 (2)), with V0 = 56.29 cm3mol-1. At high temperatures and pressures we observed the disappearance of hexagonal Fe5Si3 diffraction peaks and the appearance of peaks corresponding to cubic FeS…
GdBO3 and YBO3 crystals under compression
2021
High-pressure X-ray diffraction studies on nanocrystals of the GdBO3 and YBO3 rare-earth orthoborates are herein reported up to 17.4(2) and 13.4(2) GPa respectively. The subsequent determination of the room-temperature pressure-volume equations of state is presented and discussed in the context of contemporary publications which contradict the findings of this work. In particular, the isothermal bulk moduli of GdBO3 and YBO3 are found to be 170(13) and 163(13) GPa respectively, almost 50% smaller than recent findings. Our experimental results provide an accurate revision of the high-pressure compressibility behaviour of GdBO3 and YBO3 which is consistent with the known systematics in isomor…
Synchrotron diffraction study of the isothermal oxidation of uranium dioxide at 250°C
2003
ABSTRACTThe structural evolution of UO2 during its oxidation to U3O8 at 250°C in air was studied by in-situ synchrotron X-ray diffraction on the D2AM-CRG beamline at ESRF. The aim of this study is to determine the phases that are likely to appear during the long-term storage of spent nuclear fuel. Our results are in disagreement with the literature in which the existence of an intermediate cubic phase is not reported. Instead, an α-U3O7 tetragonal phase (c/a < 1) was mentioned but not definitively observed. These previous interpretations may have been the result of poor instrumental resolution.
Colossal barocaloric effects in the complex hydride Li$_{2}$B$_{12}$H$_{12}$
2021
Traditional refrigeration technologies based on compression cycles of greenhouse gases pose serious threats to the environment and cannot be downscaled to electronic device dimensions. Solid-state cooling exploits the thermal response of caloric materials to external fields and represents a promising alternative to current refrigeration methods. However, most of the caloric materials known to date present relatively small adiabatic temperature changes ($|\Delta T| \sim 1$ K) and/or limiting irreversibility issues resulting from significant phase-transition hysteresis. Here, we predict the existence of colossal barocaloric effects (isothermal entropy changes of $|\Delta S| \sim 100$ JK$^{-1}…
Influence of three types of superplasticizers on tricalciumaluminate hydration in presence of gypsum.
2006
International audience; Different types of superplasticizers have been widely used over the past few decades in order to produce a more fluid or very high strength and durable concrete. These chemical admixtures interfere with the various physico-chemical processes occurring in early cement paste. In this paper we present results from a study on the influence of superplasticizers on pure tricalciumaluminate hydration in presence of gypsum. The suspensions hydration has been investigated by conductimetry, isothermal calorimetry and total organic carbon analysis of the liquid phase. The time taken for ettringite formation has been determined without superplasticizer and in presence of three d…
Development of a combined solver to model transport and chemical reactions in catalytic wall-flow filters
2017
Abstract In this work, we develop a non-isothermal model for diesel particulate filters including exothermic and competing chemical reactions. We begin with an isothermal, single-reaction model and we gradually increase its complexity. By comparing various models, we aim at establishing the minimum degree of complexity required to effectively model the system under investigation. Based on the numerical simulations, we conclude that isothermal models are adequate only if the temperature of the catalyst is, at all times, completely below or completely above a critical temperature. However, if the goal is to predict the critical temperature, only non-isothermal models should be used. The resul…
Determination of Kinetic and Thermochemical Parameters of a Substitution Reaction at a Square-Planar Palladium(II) Complex in Water/AOT/n-Heptane Mic…
1995
Abstract The substitution reaction [Pd(bipy)(en)] 2+ + en → [Pd(en) 2 ] 2+ + bipy (where bipy = 2,2′-bipyridine and en = ethylenediamine) has been studied in water and water/AOT/ n -heptane microemulsions at various values of the molar ratio R ( R = [water]/[AOT]) by flow microcalorimetry. From calorimetric data, molar enthalpies of reaction and rate constants were obtained. These quantities indicate that, by increasing R , the reaction becomes less exothermic and its rate constant decreases, trending to the value observed in water. These features can be reasonably rationalized in terms of the peculiar solvation state of reactants inside the AOT reversed micelles and/or the peculiar physico…
Calorimetric investigation of the vulcanization of factice
1991
Sulphur factice is produced from a mixture of a vegetable oil and sulphur at temperatures between 130 and 160‡C. The slow exothermal vulcanization results in rubber-like elastomers. We have developed an isothermal calorimeter for measurements both in the liquid and the solid state and simulated the production process at the laboratory scale. The compensating calorimeter consists of a hot plate equipped with thin aluminium rods descending into a Dewar vessel. Besides optimization of the temperature control, remarkable savings of time were achieved by previous elaidinization of the oil using hydrosulphide.
Thermoosmotic transfer of sterically stabilized ferrofluid particles in non-isothermal capillary porous layer
2005
Experiments on thermodiffusive transfer of ferrofluid nanoparticles in capillary porous layer are presented. The layer consists of a number of capillary filter sheets pressed between two plates of different temperatures. Steady profiles of particle concentration are detected after the experiment from magnetization of each filter sheet. It is shown that particle separation in porous layer is remarkably influenced by thermoosmotic forces. The observed effect is different for colloids of various surfactants and of various carrier liquids.