نتایج جستجو برای: thermodynamic and kinetic interaction

تعداد نتایج: 16897216  

In this article, we have calculated some thermodynamic properties for a system consisting of singy ionized 3He atoms and their corresponding removed electrons by employing the second quantization method at finite temperature. To perform the calculations, we have considered the kinetic term, and Coulomb interaction between the particles in our Hamiltonian. The calculated properties are free ener...

2014
Ruth Alfaro-Cuevas-Villanueva Aura Roxana Hidalgo-Vázquez Consuelo de Jesús Cortés Penagos Raúl Cortés-Martínez

The sorption of cadmium (Cd) and lead (Pb) by calcium alginate beads (CAB) from aqueous solutions in batch systems was investigated. The kinetic and thermodynamic parameters, as well as the sorption capacities of CAB in each system at different temperatures, were evaluated. The rate of sorption for both metals was rapid in the first 10 minutes and reached a maximum in 50 minutes. Sorption kinet...

The Methotrexate delivery by carbon nanotubes (CNTs) and the structural changes of drugcombination upon the carbon nanotubes and bio thermodynamic of the drug have been studied by molecularcomputational methods. Computational molecular methods have been fulfilled by molecular mechanics methods with four force field, and semi empirical with all methods. We investigate different param...

2017
Yin Xie Yongcheng Jin Lan Xiang

A series of Mn-based intercalation compounds have been applied as the cathode materials of Li-ion batteries, such as LiMn2O4, LiNi1−x−yCoxMnyO2, etc. With open structures, intercalation compounds exhibit a wide variety of thermodynamic and kinetic properties depending on their crystal structures, host chemistries, etc. Understanding these materials from thermodynamic and kinetic points of view ...

The removal of dyes from wastewater, is one of the major environmental concerns due to their high color density, and they are toxic at even low concentrations. Adsorption process by advanced oxidation processes (AOPs) has been found to be a more effective method than classical methods for treating dye-containing wastewater. This research, is to investigate the decolorization abilities of az...

2005
Alexander N. Gorban Gregory S. Yablonsky

Everything that is not prohibited is permissible. So, what is prohibited in the course of chemical reactions, heat transfer and other dissipative processes? Is it possible to “overshoot” the equilibrium, and if yes, then how far? Thermodynamically allowed and prohibited trajectories of processes are discussed by the example of effects of equilibrium encircling. The complete theory of thermodyna...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه سیستان و بلوچستان 1390

abstract the influence of cation?? and anion?? interactions on the strength and nature of n…h hydrogen bond has been investigated by quantum chemical calculations in s-triazine…3hf complex. ab initio calculations were performed at mp2/6-311++g(d,p) level of theory. the natural bond orbital (nbo) analysis and the bader’s quantum theory of atoms in molecules (aim) were also used to elucidate t...

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