Aplicação da modelagem no estudo da teoria cinética dos gases

In this term paper is studied the use of models and analogies and it's influences in the study of chemistry, for learning and understanding of concepts related to the kinetic theory of gases. It was developed an activity with students of high school second year, enrolled in a State school, in the city of Bauru-SP. It was built and developed a model using the mechanical vertical model scheme, based on the proposal of Professor Luiz Ferraz Netto, for the teaching of the kinetic theory of gases. It was applied a questionary to evaluate the effect of the model in the classroom, and the analysis of data was done in descriptive qualitative way. It was verified that the methodology favored the development of conceptual understanding, demonstrating significant results on the theme of learning

Aplicação de um jogo digital e análise de conceitos da teoria cinética dos gases

Pós-graduação em Educação para a Ciência - FC

Teoria cinética não extensiva: efeitos físicos em gases e plasmas

The standard kinetic theory for a nonrelativistic diluted gas is generalized in the spirit of the nonextensive statistic distribution introduced by Tsallis. The new formalism depends on an arbitrary q parameter measuring the degree of nonextensivity. In the limit q = 1, the extensive Maxwell-Boltzmann theory is recovered. Starting from a purely kinetic deduction of the velocity q-distribution function, the Boltzmann H-teorem is generalized for including the possibility of nonextensive out of equilibrium effects. Based on this investigation, it is proved that Tsallis' distribution is the necessary and sufficient condition defining a thermodynamic equilibrium state in the nonextensive context. This result follows naturally from the generalized transport equation and also from the extended H-theorem. Two physical applications of the nonextensive effects have been considered. Closed analytic expressions were obtained for the Doppler broadening of spectral lines from an excited gas, as well as, for the dispersion relations describing the eletrostatic oscillations in a diluted electronic plasma. In the later case, a comparison with the experimental results strongly suggests a Tsallis distribution with the q parameter smaller than unity. A complementary study is related to the thermodynamic behavior of a relativistic imperfect simple fluid. Using nonequilibrium thermodynamics, we show how the basic primary variables, namely: the energy momentum tensor, the particle and entropy fluxes depend on the several dissipative processes present in the fluid. The temperature variation law for this moving imperfect fluid is also obtained, and the Eckart and Landau-Lifshitz formulations are recovered as particular cases

Simulação numérica de escoamentos gás-sólido em leito fluidizado borbulhante utilizando a teoria cinética dos escoamentos granulares

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Efeitos numéricos na simulação de escoamentos gás-sólido em leito fuidizado borbulhante utilizando a teoria cinética dos escoamentos granulares

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

O tratamento probabilístico da teoria cinética de colisões em livros de química brasileiros para o ensino médio

This paper presents and discusses an analysis of the approaches and the didactic treatment of the kinetic model of collision between particles in chemical reaction (collision theory model) presented by brazilian chemistry textbooks for the medium level. Our starting point at this search was the correct and scientific model for this theory which is based on random events, but most of all the books investigated does not consider this fact like an important and very precious didactic aspect. We utilized in the investigation the writing discoursive analysis technique.

Victor Regnault e os gases: medidas de alta precisão e agnosticismo teórico

O objetivo deste artigo é apresentar uma síntese histórica dos estudos de propriedades estáticas de gases reais feitas pelo experimentalista francês Regnault e estabelecer a sua relação com a recepção francesa da teoria cinética dos gases durante a segunda metade do século XIX, notando a sua relevância epistemológica. Com este caso histórico ilustra-se a complexa relação entre a teoria e a experimentação.

Aplicações da equação de Van Der Waals no estudo de colisões entre átomos e moléculas

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Application of Information Statistical Theory to the Description of the Effect of Heat Conduction on the Chemical Reaction Rate in Gases

The effect of the heat flux on the rate of chemical reaction in dilute gases is shown to be important for reactions characterized by high activation energies and in the presence of very large temperature gradients. This effect, obtained from the second-order terms in the distribution function (similar to those obtained in the Burnett approximation to the solution of the Boltzmann equation), is derived on the basis of information theory. It is shown that the analytical results describing the effect are simpler if the kinetic definition for the nonequilibrium temperature is introduced than if the thermodynamic definition is introduced. The numerical results are nearly the same for both definitions

Electron localization function at the correlated level

The electron localization function (ELF) has been proven so far a valuable tool to determine the location of electron pairs. Because of that, the ELF has been widely used to understand the nature of the chemical bonding and to discuss the mechanism of chemical reactions. Up to now, most applications of the ELF have been performed with monodeterminantal methods and only few attempts to calculate this function for correlated wave functions have been carried out. Here, a formulation of ELF valid for mono- and multiconfigurational wave functions is given and compared with previous recently reported approaches. The method described does not require the use of the homogeneous electron gas to define the ELF, at variance with the ELF definition given by Becke. The effect of the electron correlation in the ELF, introduced by means of configuration interaction with singles and doubles calculations, is discussed in the light of the results derived from a set of atomic and molecular systems

Electron localization function at the correlated level

The electron localization function (ELF) has been proven so far a valuable tool to determine the location of electron pairs. Because of that, the ELF has been widely used to understand the nature of the chemical bonding and to discuss the mechanism of chemical reactions. Up to now, most applications of the ELF have been performed with monodeterminantal methods and only few attempts to calculate this function for correlated wave functions have been carried out. Here, a formulation of ELF valid for mono- and multiconfigurational wave functions is given and compared with previous recently reported approaches. The method described does not require the use of the homogeneous electron gas to define the ELF, at variance with the ELF definition given by Becke. The effect of the electron correlation in the ELF, introduced by means of configuration interaction with singles and doubles calculations, is discussed in the light of the results derived from a set of atomic and molecular systems

Fundamentação cinética da estatística não gaussiana : efeitos em politrópicas

Considering a non-relativistic ideal gas, the standard foundations of kinetic theory are investigated in the context of non-gaussian statistical mechanics introduced by Kaniadakis. The new formalism is based on the generalization of the Boltzmann H-theorem and the deduction of Maxwells statistical distribution. The calculated power law distribution is parameterized through a parameter measuring the degree of non-gaussianity. In the limit = 0, the theory of gaussian Maxwell-Boltzmann distribution is recovered. Two physical applications of the non-gaussian effects have been considered. The first one, the -Doppler broadening of spectral lines from an excited gas is obtained from analytical expressions. The second one, a mathematical relationship between the entropic index and the stellar polytropic index is shown by using the thermodynamic formulation for self-gravitational systems

One-dimensional solidification of supercooled melts

In this paper a one-phase supercooled Stefan problem, with a nonlinear relation between the phase change temperature and front velocity, is analysed. The model with the standard linear approximation, valid for small supercooling, is first examined asymptotically. The nonlinear case is more difficult to analyse and only two simple asymptotic results are found. Then, we apply an accurate heat balance integral method to make further progress. Finally, we compare the results found against numerical solutions. The results show that for large supercooling the linear model may be highly inaccurate and even qualitatively incorrect. Similarly as the Stefan number β → 1&sup&+&/sup& the classic Neumann solution which exists down to β =1 is far from the linear and nonlinear supercooled solutions and can significantly overpredict the solidification rate.

First-passage time in a bistable potential with colored noise

A precise digital simulation of a bistable system under the effect of colored noise is carried out. A set of data for the mean first-passage time is obtained. The results are interpreted and compared with presently available theories, which are revisited following a new insight. Discrepancies that have been discussed in the literature are understood within our framework.