Free Energy and Electronic Properties of Water Adsorption on the SnO2(110) Surface

Langmuir ◽  
2013 ◽  
Vol 29 (18) ◽  
pp. 5487-5499 ◽  
Author(s):  
Gianluca Santarossa ◽  
Konstanze Hahn ◽  
Alfons Baiker
1989 ◽  
Vol 159 ◽  
Author(s):  
W. M. Mullins ◽  
T. E. Fischer

ABSTRACTA model for chemisorption based on the Lewis theory is proposed and developed. The model reproduces the observed relationship between aqueous solubility and band gap for covalent oxides. A relationship is shown between the calculated free-energy of the surface reactions and the observed effect of water on the wear of these materials. This relationship is explained in terms of surface reaction rate and equilibrium. Similar calculations for the adsorption of -CH3 functional groups are presented. The results are compared to water adsorption calculations and related to experimental wear test results for model fluids on covalent oxides. The effect of water on lubricant adsorption is discussed.


2009 ◽  
Vol 131 (3) ◽  
pp. 034701 ◽  
Author(s):  
Mitsutake Oshikiri ◽  
Mauro Boero ◽  
Akiyuki Matsushita ◽  
Jinhua Ye

Clay Minerals ◽  
1990 ◽  
Vol 25 (4) ◽  
pp. 499-506 ◽  
Author(s):  
G. Kahr ◽  
F. Kraehenbuehl ◽  
H. F. Stoeckli ◽  
M. Müller-Vonmoos

AbstractA number of thermodynamic properties were obtained from the determination of adsorption isotherms and enthalpies of immersion for systems with water and Na- and Ca-bentonites. Entropy differences were calculated by combining the enthalpies of immersion and the changes in free energy derived from the adsorption isotherms. The swelling pressures, also calculated from the water adsorption isotherms, are in satisfactory agreement with the experimental data.


Author(s):  
Hellismar W. da Silva ◽  
Renato S. Rodovalho ◽  
Isneider L. Silva

ABSTRACT The objective of this study was to determine hysteresis, enthalpy, entropy, enthalpy-entropy compensation theory and Gibbs free energy for water adsorption and desorption in ‘Malagueta’ pepper seeds. Hygroscopic equilibrium moisture contents were determined by the static gravimetric method, with water activity in the range from 0.29 to 0.90 and temperatures of 30, 40 and 50 °C. The hysteresis of the ‘Malagueta’ pepper seeds reduces with the increase of temperature. Enthalpy, entropy and Gibbs free energy of adsorption and desorption increase with the reduction of the moisture content of the seeds. The enthalpy-entropy compensation theory is valid for the sorption processes. The sorption of water between seeds and the surrounding air is a non-spontaneous process.


RSC Advances ◽  
2021 ◽  
Vol 11 (32) ◽  
pp. 19560-19568
Author(s):  
Thi Tan Pham ◽  
Thanh Ngoc Pham ◽  
Viorel Chihaia ◽  
Quang Anh Vu ◽  
Thuat T. Trinh ◽  
...  

N and B doping content in graphene alters the microscopic geometrical structure and electronic properties of adsorbed water.


Author(s):  
Karen C. Rodrigues ◽  
Hellismar W. da Silva ◽  
Isneider L. Silva ◽  
Samuel G. F. dos Santos ◽  
Daniel P. da Silva ◽  
...  

ABSTRACT Studies related to water sorption in seeds are essential for the design and optimization of storage systems. The objective of this research was to determine and model the adsorption isotherms and calculate the latent heat of water vaporization, differential enthalpy and entropy, the isokinetic theory and Gibbs free energy for ‘Cumari-do-Pará’ pepper seeds. The equilibrium moisture contents were obtained by the static gravimetric method at temperatures of 30, 35 and 40 °C and water activities between 0.290 and 0.900 (decimal). The Chen-Clayton model is the one that best represents the water adsorption isotherms in ‘Cumari-do-Pará’ pepper seeds under the studied conditions, with 9.94% mean relative error, 0.40 mean estimated error and random distribution of residuals. The latent heat of vaporization ranged from 2,555.669 to 3,162.180 kJ kg-1. The enthalpy, entropy and Gibbs free energy increase with the reduction in the equilibrium moisture content of the seeds. The isokinetic theory is valid for the adsorption process.


RSC Advances ◽  
2018 ◽  
Vol 8 (27) ◽  
pp. 15078-15086 ◽  
Author(s):  
Yong Yang

The structural, dynamical and electronic properties of water molecules on the β-PtO2(001) surface has been studied using first-principles calculations.


2020 ◽  
Vol 43 ◽  
Author(s):  
Robert Mirski ◽  
Mark H. Bickhard ◽  
David Eck ◽  
Arkadiusz Gut

Abstract There are serious theoretical problems with the free-energy principle model, which are shown in the current article. We discuss the proposed model's inability to account for culturally emergent normativities, and point out the foundational issues that we claim this inability stems from.


Author(s):  
J.M. Bonar ◽  
R. Hull ◽  
R. Malik ◽  
R. Ryan ◽  
J.F. Walker

In this study we have examined a series of strained heteropeitaxial GaAs/InGaAs/GaAs and InGaAs/GaAs structures, both on (001) GaAs substrates. These heterostructures are potentially very interesting from a device standpoint because of improved band gap properties (InAs has a much smaller band gap than GaAs so there is a large band offset at the InGaAs/GaAs interface), and because of the much higher mobility of InAs. However, there is a 7.2% lattice mismatch between InAs and GaAs, so an InxGa1-xAs layer in a GaAs structure with even relatively low x will have a large amount of strain, and misfit dislocations are expected to form above some critical thickness. We attempt here to correlate the effect of misfit dislocations on the electronic properties of this material.The samples we examined consisted of 200Å InxGa1-xAs layered in a hetero-junction bipolar transistor (HBT) structure (InxGa1-xAs on top of a (001) GaAs buffer, followed by more GaAs, then a layer of AlGaAs and a GaAs cap), and a series consisting of a 200Å layer of InxGa1-xAs on a (001) GaAs substrate.


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