Search results for "THERMODYNAMICS"

Adsorption of atomic and molecular oxygen on the LaMnO3(001) surface: ab initio supercell calculations and thermodynamics.

2008

We present and discuss the results of ab initio DFT plane-wave supercell calculations of the atomic and molecular oxygen adsorption and diffusion on the LaMnO(3) (001) surface which serves as a model material for a cathode of solid oxide fuel cells. The dissociative adsorption of O(2) molecules from the gas phase is energetically favorable on surface Mn ions even on a defect-free surface. The surface migration energy for adsorbed O ions is found to be quite high, 2.0 eV. We predict that the adsorbed O atoms could penetrate the electrode first plane when much more mobile surface oxygen vacancies (migration energy of 0.69 eV) approach the O ions strongly bound to the surface Mn ions. The form…

The Role of the Energetics of Adsorption in Kinetic Studies

1981

Application of jäntti's method to volumetric adsorption measurements

2004

Jantti introduced a method to calculate the adsorption equilibrium by measuring the actual adsorbed amount three times after a change to the gas pressure. By this method the experimental time for adsorption measurement can be considerably shortened. The procedure was developed for use in adsorption measurements where the adsorbed masses are directly measured with a balance. In the present paper we will demonstrate that the method is particularly useful in volumetric (manometric) measurements.

The Use of 15N NMR for the Understanding of Nitrogen Physisorption.

1994

Abstract Nitrogen adsorption at liquid nitrogen temperature, 77K, is universally employed to determine pore dimensions. The nature of nitrogen physisorbed within the micropores of ZSM-5 zeolite was studied by in situ15N NMR as it depends on the partial pressure of the nitrogen and the temperature above and below 77K. An increase in the volume of adsorption of nitrogen at 77K occurs at a relative pressure of ~0.18 for this zeolite. The nature of the nitrogen was studied below and above this increase in nitrogen adsorption. We find that two states (phases) of nitrogen are evident. We conclude that two phases can be present but that a solid phase of nitrogen is not evident even as the temperat…

Study of Selective Adsorption of Gases by Calorimetry

2013

This chapter is devoted to the study of coadsorption of gases in nanoporous solids by using the differential calorimetry. In the first part, the thermodynamic principles of adsorption of gases are recalled. Some of them have already presented in chapter one. However a special attention has been paid here to the determination of the adsorption enthalpies and entropies and we focused on the selective adsorption of binary mixtures. Then the specific experimental technique based on the combination of differential calorimetry with manometry and gas phase chromatography or mass spectrometry is shown in details. In the last part, the thermodynamic concepts on coadsorption are illustrated with expe…

Sorption Kinetics of Xenon on MFI-Type Zeolite Molecular Sieves

1990

Kinetic uptake data for xenon adsorbed onto large and uniform silicalite-I crystals are presented over a temperature range of 121 K to 296 K. — Adsorption isotherms and corrected diffusion coefficients derived from the uptake curves are given. The heat of adsorption and activation energy of diffusion were estimated from the plots of reciprocal temperature against the logarithm of equilibrium pressure and corrected diffusion coefficients, respectively. — While the corrected diffusion coefficient is independent of coverage for the higher temperatures, it decreases significantly at the lower temperatures investigated (<170 K) when the limiting adsorption capacity has been reached. — Comparing …

Study of the Pore Network of Dealuminated Faujasites by Water Vapor Adsorption

1991

Summary The adsorption and desorption isotherms of water vapor are drawn at 25°C for dealuminated HY zeolites upon framework Si/Al ratio. The isotherms are compared to that of the parent NaY zeolite. The isotherm changes in shape from the type I to the type IV with an hysteresis loop changing from the type H 4 to the type H 2 , as increases the Si/Al ratio. The POLANYI-DUBININ theory is used to determine the micropore volume accessible to water. It decreases with increasing Si/Al ratios, down to zero at a Si/Al ratio of 35. Such a result is accounted by the adsorption on the hydrophilic centers which are the cations (H + ) associated with the structural aluminium ions, each cation being coo…

Volume stability of hydroxyapatite and β-tricalcium phosphate biphasic bone graft material in maxillary sinus floor elevation: a radiographic study u…

2015

Objectives The purpose of this study was to confirm volume stability of biphasic calcium phosphate (BCP) through the changes of grafted volume over the time by 3D CT analyzing software program. Patients and Methods Fifteen patients, 16 sinuses who were scheduled a staged implantation through sinus floor elevation (SFE)–lateral window technique from 2009 to 2011 were included in the study. Of the 15 patients, eight were male and seven were female (mean age 50.1). For sinus floor augmentation, BCP with local blood was packed loosely into the maxillary sinus and the grafted site was covered with a collagen membrane. For the evaluation of volume change, 3D CBCT scans were taken five times at pr…

Instantaneous transfer entropy for the study of cardio-respiratory dynamics

2015

Measures of transfer entropy have been proposed to quantify the directional coupling and strength between two complex physiological variables. Particular attention has been given to nonlinear interactions within cardiovascular and respiratory dynamics as influenced by the autonomic nervous system. However, standard transfer entropy estimates have shown major limitations in dealing with issues concerning stochastic system modeling, limited observations in time, and the assumption of stationarity of the considered physiological variables. Moreover, standard estimates are unable to track time-varying changes in nonlinear coupling with high resolution in time. Here, we propose a novel definitio…

Quantifying Net Synergy/Redundancy of Spontaneous Variability Regulation via Predictability and Transfer Entropy Decomposition Frameworks.

2017

Objective: Indexes assessing the balance between redundancy and synergy were hypothesized to be helpful in characterizing cardiovascular control from spontaneous beat-to-beat variations of heart period (HP), systolic arterial pressure (SAP), and respiration (R). Methods: Net redundancy/synergy indexes were derived according to predictability and transfer entropy decomposition strategies via a multivariate linear regression approach. Indexes were tested in two protocols inducing modifications of the cardiovascular regulation via baroreflex loading/unloading (i.e., head-down tilt at −25° and graded head-up tilt at 15°, 30°, 45°, 60°, 75°, and 90°, respectively). The net redundancy/synergy of …