scholarly journals Analysis of shape, size and structure dependent thermodynamic properties of nanowires

2020 ◽  
Vol 48 (5-6) ◽  
pp. 481-495 ◽  
Author(s):  
M. GOYAL ◽  
B. R. K. GUPTA
Keyword(s):  
Experimental Data ◽  
Thermodynamic Properties ◽  
Cohesive Energy ◽  
Present Model ◽  
Packing Fraction ◽  
Energy Band Gap ◽  
Thermodynamic Variables ◽  
Energy Activation ◽  
Size And Structure ◽  
Temperature Surface

A simple model based on thermodynamic variables is used to study the effect of shape, size and structure on the various thermodynamic properties of nanowires. The expression of cohesive energy derived by Qi and Wang [16] is used and ratio of surface atoms to total number of atoms is expressed in terms of shape parameter, radius of nanowire and atomic packing fraction. The variation in cohesive energy, activation energy, melting temperature surface energy, Bulk modulus, Energy band gap Debye temperature and coefficient of volume thermal expansion in nanowires of Zn, β-Sn, TiO 2 (rutile) is studied for cylindrical, triangular, tetragonal, hexagonal and rectangular nanowires using the model. The results obtained are compared with the experimental data available and results from Guisbiers model [11, 12]. The values predicated from the present model are found close to Guisbiers model results and available experimental data.

Size-dependent melting temperature of nanoparticles based on cohesive energy

2014 ◽  
Vol 28 (19) ◽  
pp. 1450157 ◽  
Author(s):  
Kai-Tuo Huo ◽  
Xiao-Ming Chen
Keyword(s):  
Melting Temperature ◽  
Cohesive Energy ◽  
Metallic Nanoparticles ◽  
Present Model ◽  
Packing Fraction ◽  
Size Dependent ◽  
Crystal Cell ◽  
K Factor ◽  
The Relationship ◽  
Crystalline Plane

Size-dependent melting temperature of metallic nanoparticles is studied theoretically based on cohesive energy. Three factors are introduced in the present model. The k factor, i.e. efficiency of space filling of crystal lattice is defined as the ratio between the volume of the atoms in a crystal cell and that of the crystal cell. The β factor is defined as the ratio between the cohesive energy of surface atom and interior atom of a crystal. The qs factor represents the packing fraction on a surface crystalline plane. Considering the β, qs and k factors, the relationship between melting temperature and nanoparticle size is discussed. The obtained model is compared with the reported experimental data and the other models.

SPECIFIC HEAT OF Tb0.5Sr0.5CoO3 CERAMICS

2013 ◽  
Vol 22 ◽  
pp. 391-396
Author(s):  
RASNA THAKUR ◽  
RAJESH K. THAKUR ◽  
N. K. GAUR
Keyword(s):  
Experimental Data ◽  
Thermodynamic Properties ◽  
Bulk Modulus ◽  
Specific Heat ◽  
Debye Temperature ◽  
Cohesive Energy ◽  
Grüneisen Parameter ◽  
Temperature Range ◽  
Proper Interpretation ◽  
Rigid Ion Model

We have investigated the thermal and allied properties of Tb0.5Sr0.5CoO3 for the temperature range 1K≤T≤300K using the Modified Rigid Ion Model (MRIM). The calculated bulk modulus, specific heat, and other thermodynamic properties obtained from MRIM have presented proper interpretation of the experimental data, for Sr ions doped TbCoO3 . In addition, the results on the cohesive energy (φ), Debye temperature (θD) and Gruneisen parameter (γ) are also discussed.

Tribotechnical characteristics of hard alloys in sliding friction units

2020 ◽  
pp. 87-97
Author(s):  
K. D. Khromushkin ◽  
B. G. Ushakov ◽  
A. V. Kochergin ◽  
R. A. Suleev ◽  
O. N. Parmenova
Keyword(s):  
Experimental Data ◽  
Sliding Friction ◽  
Heating Temperature ◽  
Hard Alloys ◽  
Friction Units ◽  
Wear And Friction ◽  
Friction Path ◽  
Friction Parameters ◽  
Tribotechnical Characteristics ◽  
Temperature Surface

The paper presents experimental data on the study of the friction parameters of hard alloys in sliding friction units, including the heating temperature, surface roughness, wear and friction coefficient, depending on the duration of the test and the friction path.

scholarly journals Kinetics and thermodynamic properties related to the drying of 'Cabacinha' pepper fruits

2016 ◽  
Vol 20 (2) ◽  
pp. 174-180 ◽  
Author(s):  
Hellismar W. da Silva ◽  
Renato S. Rodovalho ◽  
Marya F. Velasco ◽  
Camila F. Silva ◽  
Luís S. R. Vale
Keyword(s):  
Experimental Data ◽  
Activation Energy ◽  
Free Energy ◽  
Thermodynamic Properties ◽  
Gibbs Free Energy ◽  
Removal Rate ◽  
Effective Diffusion ◽  
Drying Time ◽  
Three Samples ◽  
Different Temperatures

ABSTRACT The objective of this study was to determine and model the drying kinetics of 'Cabacinha' pepper fruits at different temperatures of the drying air, as well as obtain the thermodynamic properties involved in the drying process of the product. Drying was carried out under controlled conductions of temperature (60, 70, 80, 90 and 100 °C) using three samples of 130 g of fruit, which were weighed periodically until constant mass. The experimental data were adjusted to different mathematical models often used in the representation of fruit drying. Effective diffusion coefficients, calculated from the mathematical model of liquid diffusion, were used to obtain activation energy, enthalpy, entropy and Gibbs free energy. The Midilli model showed the best fit to the experimental data of drying of 'Cabacinha' pepper fruits. The increase in drying temperature promoted an increase in water removal rate, effective diffusion coefficient and Gibbs free energy, besides a reduction in fruit drying time and in the values of entropy and enthalpy. The activation energy for the drying of pepper fruits was 36.09 kJ mol-1.

APPLICATION OF A NEW HAMILTONIAN OF INTERACTION TO THREE-DIMENSIONAL STRUCTURES

2004 ◽  
Vol 18 (09) ◽  
pp. 1351-1368
Author(s):  
ANDREI DOLOCAN ◽  
VOICU OCTAVIAN DOLOCAN ◽  
VOICU DOLOCAN
Keyword(s):  
Experimental Data ◽  
Cohesive Energy ◽  
Noble Gases ◽  
Three Dimensional ◽  
The Other ◽  
Ionic Crystals ◽  
Coupling Constant ◽  
Good Agreement

Using a new Hamiltonian of interaction we have calculated the cohesive energy in three-dimensional structures. We have found the news dependences of this energy on the distance between the atoms. The obtained results are in a good agreement with experimental data in ionic, covalent and noble gases crystals. The coupling constant γ between the interacting field and the atoms is somewhat smaller than unity in ionic crystals and is some larger than unity in covalent and noble gases crystals. The formulae found by us are general and may be applied, also, to the other types of interactions, for example, gravitational interactions.

EQUATIONS OF STATE FOR FLUIDS: THE LIQUID-VAPOR EQUILIBRIUM (LVE)

2008 ◽  
Vol 22 (30) ◽  
pp. 5335-5347 ◽  
Author(s):  
JIANXIANG TIAN ◽  
YUANXING GUI
Keyword(s):  
Experimental Data ◽  
Equations Of State ◽  
Packing Fraction ◽  
Optimal Choice ◽  
Critical Conditions ◽  
Mechanics Model ◽  
Vapor Equilibrium ◽  
Pure Substances ◽  
Compressibility Factors ◽  
Liquid Vapor

Historically, the development of equations of state for fluids has almost invariably followed the lead of the van der Waals (vdW) equation which includes an attraction term and a repulsion term. In this paper, using a simple statistical mechanics model, we introduce a parameter σ as both the power and a coefficient of the packing fraction y which locates at the numerator of the vdW attraction term. Then nine equations of state are constructed to solve the critical conditions and the main thermodynamic properties of pure substances at liquid-vapor equilibrium. As a result, the correct critical compressibility factors of Nitrogen, Argon, Carbon dioxide, Ethene, Methane, Oxygen, Propene, Water and Hydrogen, are obtained with an optimal choice of parameter σ. Good predictions of these equations to the liquid-vapor equilibrium properties below critical temperature are reported and compared with experimental data.

scholarly journals Mathematical modeling and determination of thermodynamic properties of jabuticaba peel during the drying process

2016 ◽  
Vol 20 (6) ◽  
pp. 576-580 ◽  
Author(s):  
Cristian F. Costa ◽  
Paulo C. Corrêa ◽  
Jaime D. B. Vanegas ◽  
Fernanda M. Baptestini ◽  
Renata C. Campos ◽  
...  
Keyword(s):  
Experimental Data ◽  
Thermodynamic Properties ◽  
Drying Process ◽  
Drying Temperature ◽  
Air Temperatures ◽  
Nutritional Qualities ◽  
Forced Air ◽  
Air Circulation ◽  
Best Fit

ABSTRACT Jabuticaba is a fruit native of Brazil and, besides containing many nutritional qualities, it also has a good field for use in products such as flour for cakes and biscuits, juice, liqueur, jelly and others. This study aimed to model the drying kinetics and determine the thermodynamic properties of jabuticaba peel at different drying air temperatures. Ripe fruits of jabuticaba (Myrciaria jaboticaba) were collected and pulped manually. Drying was carried out in a forced-air circulation oven with a flow of 5.6 m s-1 at temperatures of 40, 50, 60 and 70 °C. Six mathematical models commonly used to represent the drying process of agricultural products were fitted to the experimental data. The Arrhenius model was used to represent the drying constant as a function of temperature. The Midilli model showed the best fit to the experimental data of drying. The drying constant increased with the increment in drying temperature and promoted an activation energy of 37.29 kJ mol-1. Enthalpy and Gibbs free energy decreased with the increase in drying temperature, while entropy decreased and was negative.

TEMPERATURE DEPENDENCE OF THERMODYNAMIC PROPERTIES OF IONIC SOLIDS

2009 ◽  
Vol 23 (11) ◽  
pp. 2503-2509 ◽  
Author(s):  
S. K. SHARMA
Keyword(s):  
Experimental Data ◽  
Temperature Dependence ◽  
Volume Expansion ◽  
Close Agreement ◽  
Present Model ◽  
Expansion Ratio ◽  
Thermal Expansivity ◽  
Temperature Derivative ◽  
Computing Model ◽  
Ionic Solids

The present paper proposes a computing model for temperature dependence of volume thermal expansivity, volume expansion ratio and second order temperature derivative of volume based on the assumption that the product αKT remains constant at high temperatures and zero pressure. We have taken NaCl and KCl to testify the validity of the present model. A fairly close agreement between the calculated results and experimental data strongly supports the present model.

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