Advanced search options

Advanced Search Options 🞨

Browse by author name (“Author name starts with…”).

Find ETDs with:

in
/  
in
/  
in
/  
in

Written in Published in Earliest date Latest date

Sorted by

Results per page:

You searched for id:"handle:10183/156634". One record found.

Search Limiters

Last 2 Years | English Only

No search limiters apply to these results.

▼ Search Limiters

1. Furlan, Alexandre Penteado. Computational study of the effects of the confinement and the interacting solutes on the properties of the water-like models.

Degree: 2017, Universidade do Rio Grande do Sul

Although the familiarity and simplicity, the water show a set of thermodynamic, dynamics and structural properties which are still subject to intense research. The increase of density as the temperature, of diffusion as the density, or even of ordering with the temperature are examples of some of its unusual behavior. In order to better understand these properties numerous approaches have been used, such as the use of confinement geometries, simplified models, or ever mixtures. Among the confinement geometries used, are those, nanopores, parallel plates and porous media. The porous media are formed by fixed obstacles that impose the additional excluded volume effects to the system. In the case of mixtures, when they occur between liquids able to form hydrogen-bonds, the unusual behavior of water give rise to a set even higher anomalous properties. The water-methanol mixture, for example, has a set of excess properties unable to be described by usual theories. Some examples are the maximum in the specific heat and minimum in excess volume and enthalpy. In this Ph.D. project, we study by numerical simulations, the confinement of water by porous media(or under quenched disorder) and the mixture of water with interacting solutes. The first study is performed using a 2D lattice model which is widely known in the literature. In a second stage, we study the influence of interacting solutes on the properties of lattice and continuous models. For the lattice model, we develop a solute model and a technique to simulate mixtures of lattice models at constant pressure. Using this technique, we study the excess properties of the mixture. For the continuous model we study the influence of a dimeric solute on the TMD of a water-like model and posteriorly we study the excess properties of this type of mixture.

Apesar de sua familiaridade e simplicidade, a água apresenta um conjunto propriedades termodinâmicas, dinâmicas e estruturais que são ainda objeto de intensa pesquisa. O aumento da densidade com a temperatura, da difusão com a densidade, ou ainda do ordenamento com a temperatura são exemplos de alguns de seus comportamentos não usuais. Com a finalidade de melhor compreender tais propriedades inúmeras abordagens têm sido utilizadas, tais como o uso geometrias de confinamento, modelos simplificados ou até mesmo misturas. Dentre as geometrias confinantes frequentemente usadas, encontra-se, nanoporos, placas paralelas e meio porosos. Os meios porosos são formados por obstáculos fixos que impõem efeitos de volume excluído adicionais ao sistema. Já no caso de misturas quando elas ocorrem entre líquidos capazes de formar ligações de hidrogênio, o comportamento não usual da água dá origem a um conjunto ainda maior de propriedades anômalas. A mistura água-metanol por exemplo, é munida de um conjunto propriedades de excesso incapazes de serem descritas pelas teorias usuais. São alguns exemplos, o máximo no calor específico e o mínimo no volume e entalpia de excesso. Neste projeto de doutoramento, nós estudamos por simulações…

Advisors/Committee Members: Barbosa, Marcia Cristina Bernardes.

Subjects/Keywords: Water confinement; Métodos computacionais; Água; Water anomalies; Porous media; Estrutura líqüida; Lattice models; Materiais porosos; Mixtures; Método de Monte Carlo; Monte Carlos simulations; Propriedades termodinamicas

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Furlan, A. P. (2017). Computational study of the effects of the confinement and the interacting solutes on the properties of the water-like models. (Thesis). Universidade do Rio Grande do Sul. Retrieved from http://hdl.handle.net/10183/156634

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Furlan, Alexandre Penteado. “Computational study of the effects of the confinement and the interacting solutes on the properties of the water-like models.” 2017. Thesis, Universidade do Rio Grande do Sul. Accessed April 28, 2017. http://hdl.handle.net/10183/156634.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Furlan, Alexandre Penteado. “Computational study of the effects of the confinement and the interacting solutes on the properties of the water-like models.” 2017. Web. 28 Apr 2017.

Vancouver:

Furlan AP. Computational study of the effects of the confinement and the interacting solutes on the properties of the water-like models. [Internet] [Thesis]. Universidade do Rio Grande do Sul; 2017. [cited 2017 Apr 28]. Available from: http://hdl.handle.net/10183/156634.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Furlan AP. Computational study of the effects of the confinement and the interacting solutes on the properties of the water-like models. [Thesis]. Universidade do Rio Grande do Sul; 2017. Available from: http://hdl.handle.net/10183/156634

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

.