Comportamento termodinâmico de cadeias de dímeros

Detalhes bibliográficos
Autor(a) principal: Nascimento, Denise Andrade do
Data de Publicação: 2016
Tipo de documento: Tese
Idioma: por
Título da fonte: Repositório Institucional da UFSCAR
Texto Completo: https://repositorio.ufscar.br/handle/ufscar/8656
Resumo: In this Thesis we propose to describe the thermodynamical properties of dimer chains in a one-dimensional lattice rstly considering q-states of chain orientation in the lattice and secondly by a three states model where the chain orientation is associated with a energy " > 0 or " = 0. For this reason we describe our system by a microcanonical ensemble to get the canonical partition function and through this function obtain the Helmholtz free energy, the entropy, internal energy and pressure. We solved also the problem by adopting the grand canonical ensemble using the transfer matrix method and we get in the thermodynamical limit the equivalence between both ensembles. However the analysis of the thermodynamic properties for systems with nite size is quite relevant since for these nite systems can be found a inequivalence of ensembles. Thereby we performed a detailed study of the Statistical Mechanics for nite particles systems verifying the equivalence o ensembles.
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spelling Nascimento, Denise Andrade doSousa, José Ricardo dehttp://lattes.cnpq.br/3871066069541626Adão Neto, Minos Martinshttp://lattes.cnpq.br/6102062332483035http://lattes.cnpq.br/3111593924862886efff129c-3a55-4ac6-9a2e-fc1ba170471c2017-04-20T13:54:43Z2017-04-20T13:54:43Z2016-10-31NASCIMENTO, Denise Andrade do. Comportamento termodinâmico de cadeias de dímeros. 2016. Tese (Doutorado em Física) – Universidade Federal de São Carlos, São Carlos, 2016. Disponível em: https://repositorio.ufscar.br/handle/ufscar/8656.https://repositorio.ufscar.br/handle/ufscar/8656In this Thesis we propose to describe the thermodynamical properties of dimer chains in a one-dimensional lattice rstly considering q-states of chain orientation in the lattice and secondly by a three states model where the chain orientation is associated with a energy " > 0 or " = 0. For this reason we describe our system by a microcanonical ensemble to get the canonical partition function and through this function obtain the Helmholtz free energy, the entropy, internal energy and pressure. We solved also the problem by adopting the grand canonical ensemble using the transfer matrix method and we get in the thermodynamical limit the equivalence between both ensembles. However the analysis of the thermodynamic properties for systems with nite size is quite relevant since for these nite systems can be found a inequivalence of ensembles. Thereby we performed a detailed study of the Statistical Mechanics for nite particles systems verifying the equivalence o ensembles.O presente trabalho tem por finalidade descrever as propriedades termodinâmicas de cadeias de dímeros em uma rede unidimensional, inicialmente considerando q-estados de orientações das cadeias na rede, e posteriormente um modelo de 3 estados, onde orientação da cadeia está associada a uma energia " > 0 ou " = 0. Para isso, consideramos o problema de um ponto de vista combinatório, no ensemble microcanônico, de maneira a obter sua função de partição canônica e através dela encontrarmos as grandezas termodinâmicas de interesse, tais como a energia livre de Helmholtz, entropia, energia interna, pressão, por exemplo. Posteriormente, resolvemos o problema no ensemble grande canôncio usando a técnica de matriz de transferência, obtendo assim, no limite termodinâmico a equivalência entre os ensembles. Entretanto, têm-se tornado cada vez mais importante e frequente, o estudo termodinâmico de sistemas “pequenos", onde nestes casos pode haver a inequivalência entre as grandezas físicas obtidas nos ensembles. Desse modo, realizamos um estudo detalhado do que acontece ao aplicarmos ferramentas da mecânica estatística a sistemas com poucas partículas, verificando se os diferentes ensembles estatísticos estudados neste trabalho ainda levam aos mesmos resultados.Não recebi financiamentoporUniversidade Federal de São CarlosCâmpus São CarlosPrograma de Pós-Graduação em Física - PPGFUFSCarTermodinâmicaMecânica estatísticaDímerosRede unidimensionalMatriz de transferênciaThermodynamicsStatistical mechanicsDimersOne-dimensional latticeTransfer matrix methodCIENCIAS EXATAS E DA TERRA::FISICAComportamento termodinâmico de cadeias de dímerosinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/doctoralThesisOnline6006000c4db4d6-5aa4-4916-91f8-dbc89c346249info:eu-repo/semantics/openAccessreponame:Repositório Institucional da UFSCARinstname:Universidade Federal de São Carlos (UFSCAR)instacron:UFSCARORIGINALTeseDAN.pdfTeseDAN.pdfapplication/pdf8462805https://repositorio.ufscar.br/bitstream/ufscar/8656/1/TeseDAN.pdf612f3289bd6eedee49e627d6f99f7762MD51LICENSElicense.txtlicense.txttext/plain; charset=utf-81957https://repositorio.ufscar.br/bitstream/ufscar/8656/2/license.txtae0398b6f8b235e40ad82cba6c50031dMD52TEXTTeseDAN.pdf.txtTeseDAN.pdf.txtExtracted texttext/plain173089https://repositorio.ufscar.br/bitstream/ufscar/8656/3/TeseDAN.pdf.txt41db7a021ab80383015ad18ae27fbf7fMD53THUMBNAILTeseDAN.pdf.jpgTeseDAN.pdf.jpgIM Thumbnailimage/jpeg6901https://repositorio.ufscar.br/bitstream/ufscar/8656/4/TeseDAN.pdf.jpg39a094df3927eec005303b18a22d7a9cMD54ufscar/86562023-09-18 18:31:08.87oai:repositorio.ufscar.br:ufscar/8656TElDRU7Dh0EgREUgRElTVFJJQlVJw4fDg08gTsODTy1FWENMVVNJVkEKCkNvbSBhIGFwcmVzZW50YcOnw6NvIGRlc3RhIGxpY2Vuw6dhLCB2b2PDqiAobyBhdXRvciAoZXMpIG91IG8gdGl0dWxhciBkb3MgZGlyZWl0b3MgZGUgYXV0b3IpIGNvbmNlZGUgw6AgVW5pdmVyc2lkYWRlCkZlZGVyYWwgZGUgU8OjbyBDYXJsb3MgbyBkaXJlaXRvIG7Do28tZXhjbHVzaXZvIGRlIHJlcHJvZHV6aXIsICB0cmFkdXppciAoY29uZm9ybWUgZGVmaW5pZG8gYWJhaXhvKSwgZS9vdQpkaXN0cmlidWlyIGEgc3VhIHRlc2Ugb3UgZGlzc2VydGHDp8OjbyAoaW5jbHVpbmRvIG8gcmVzdW1vKSBwb3IgdG9kbyBvIG11bmRvIG5vIGZvcm1hdG8gaW1wcmVzc28gZSBlbGV0csO0bmljbyBlCmVtIHF1YWxxdWVyIG1laW8sIGluY2x1aW5kbyBvcyBmb3JtYXRvcyDDoXVkaW8gb3UgdsOtZGVvLgoKVm9jw6ogY29uY29yZGEgcXVlIGEgVUZTQ2FyIHBvZGUsIHNlbSBhbHRlcmFyIG8gY29udGXDumRvLCB0cmFuc3BvciBhIHN1YSB0ZXNlIG91IGRpc3NlcnRhw6fDo28KcGFyYSBxdWFscXVlciBtZWlvIG91IGZvcm1hdG8gcGFyYSBmaW5zIGRlIHByZXNlcnZhw6fDo28uCgpWb2PDqiB0YW1iw6ltIGNvbmNvcmRhIHF1ZSBhIFVGU0NhciBwb2RlIG1hbnRlciBtYWlzIGRlIHVtYSBjw7NwaWEgYSBzdWEgdGVzZSBvdQpkaXNzZXJ0YcOnw6NvIHBhcmEgZmlucyBkZSBzZWd1cmFuw6dhLCBiYWNrLXVwIGUgcHJlc2VydmHDp8Ojby4KClZvY8OqIGRlY2xhcmEgcXVlIGEgc3VhIHRlc2Ugb3UgZGlzc2VydGHDp8OjbyDDqSBvcmlnaW5hbCBlIHF1ZSB2b2PDqiB0ZW0gbyBwb2RlciBkZSBjb25jZWRlciBvcyBkaXJlaXRvcyBjb250aWRvcwpuZXN0YSBsaWNlbsOnYS4gVm9jw6ogdGFtYsOpbSBkZWNsYXJhIHF1ZSBvIGRlcMOzc2l0byBkYSBzdWEgdGVzZSBvdSBkaXNzZXJ0YcOnw6NvIG7Do28sIHF1ZSBzZWphIGRlIHNldQpjb25oZWNpbWVudG8sIGluZnJpbmdlIGRpcmVpdG9zIGF1dG9yYWlzIGRlIG5pbmd1w6ltLgoKQ2FzbyBhIHN1YSB0ZXNlIG91IGRpc3NlcnRhw6fDo28gY29udGVuaGEgbWF0ZXJpYWwgcXVlIHZvY8OqIG7Do28gcG9zc3VpIGEgdGl0dWxhcmlkYWRlIGRvcyBkaXJlaXRvcyBhdXRvcmFpcywgdm9jw6oKZGVjbGFyYSBxdWUgb2J0ZXZlIGEgcGVybWlzc8OjbyBpcnJlc3RyaXRhIGRvIGRldGVudG9yIGRvcyBkaXJlaXRvcyBhdXRvcmFpcyBwYXJhIGNvbmNlZGVyIMOgIFVGU0NhcgpvcyBkaXJlaXRvcyBhcHJlc2VudGFkb3MgbmVzdGEgbGljZW7Dp2EsIGUgcXVlIGVzc2UgbWF0ZXJpYWwgZGUgcHJvcHJpZWRhZGUgZGUgdGVyY2Vpcm9zIGVzdMOhIGNsYXJhbWVudGUKaWRlbnRpZmljYWRvIGUgcmVjb25oZWNpZG8gbm8gdGV4dG8gb3Ugbm8gY29udGXDumRvIGRhIHRlc2Ugb3UgZGlzc2VydGHDp8OjbyBvcmEgZGVwb3NpdGFkYS4KCkNBU08gQSBURVNFIE9VIERJU1NFUlRBw4fDg08gT1JBIERFUE9TSVRBREEgVEVOSEEgU0lETyBSRVNVTFRBRE8gREUgVU0gUEFUUk9Dw41OSU8gT1UKQVBPSU8gREUgVU1BIEFHw4pOQ0lBIERFIEZPTUVOVE8gT1UgT1VUUk8gT1JHQU5JU01PIFFVRSBOw4NPIFNFSkEgQSBVRlNDYXIsClZPQ8OKIERFQ0xBUkEgUVVFIFJFU1BFSVRPVSBUT0RPUyBFIFFVQUlTUVVFUiBESVJFSVRPUyBERSBSRVZJU8ODTyBDT01PClRBTULDiU0gQVMgREVNQUlTIE9CUklHQcOHw5VFUyBFWElHSURBUyBQT1IgQ09OVFJBVE8gT1UgQUNPUkRPLgoKQSBVRlNDYXIgc2UgY29tcHJvbWV0ZSBhIGlkZW50aWZpY2FyIGNsYXJhbWVudGUgbyBzZXUgbm9tZSAocykgb3UgbyhzKSBub21lKHMpIGRvKHMpCmRldGVudG9yKGVzKSBkb3MgZGlyZWl0b3MgYXV0b3JhaXMgZGEgdGVzZSBvdSBkaXNzZXJ0YcOnw6NvLCBlIG7Do28gZmFyw6EgcXVhbHF1ZXIgYWx0ZXJhw6fDo28sIGFsw6ltIGRhcXVlbGFzCmNvbmNlZGlkYXMgcG9yIGVzdGEgbGljZW7Dp2EuCg==Repositório InstitucionalPUBhttps://repositorio.ufscar.br/oai/requestopendoar:43222023-09-18T18:31:08Repositório Institucional da UFSCAR - Universidade Federal de São Carlos (UFSCAR)false
dc.title.por.fl_str_mv Comportamento termodinâmico de cadeias de dímeros
title Comportamento termodinâmico de cadeias de dímeros
spellingShingle Comportamento termodinâmico de cadeias de dímeros
Nascimento, Denise Andrade do
Termodinâmica
Mecânica estatística
Dímeros
Rede unidimensional
Matriz de transferência
Thermodynamics
Statistical mechanics
Dimers
One-dimensional lattice
Transfer matrix method
CIENCIAS EXATAS E DA TERRA::FISICA
title_short Comportamento termodinâmico de cadeias de dímeros
title_full Comportamento termodinâmico de cadeias de dímeros
title_fullStr Comportamento termodinâmico de cadeias de dímeros
title_full_unstemmed Comportamento termodinâmico de cadeias de dímeros
title_sort Comportamento termodinâmico de cadeias de dímeros
author Nascimento, Denise Andrade do
author_facet Nascimento, Denise Andrade do
author_role author
dc.contributor.authorlattes.por.fl_str_mv http://lattes.cnpq.br/3111593924862886
dc.contributor.author.fl_str_mv Nascimento, Denise Andrade do
dc.contributor.advisor1.fl_str_mv Sousa, José Ricardo de
dc.contributor.advisor1Lattes.fl_str_mv http://lattes.cnpq.br/3871066069541626
dc.contributor.advisor-co1.fl_str_mv Adão Neto, Minos Martins
dc.contributor.advisor-co1Lattes.fl_str_mv http://lattes.cnpq.br/6102062332483035
dc.contributor.authorID.fl_str_mv efff129c-3a55-4ac6-9a2e-fc1ba170471c
contributor_str_mv Sousa, José Ricardo de
Adão Neto, Minos Martins
dc.subject.por.fl_str_mv Termodinâmica
Mecânica estatística
Dímeros
Rede unidimensional
Matriz de transferência
topic Termodinâmica
Mecânica estatística
Dímeros
Rede unidimensional
Matriz de transferência
Thermodynamics
Statistical mechanics
Dimers
One-dimensional lattice
Transfer matrix method
CIENCIAS EXATAS E DA TERRA::FISICA
dc.subject.eng.fl_str_mv Thermodynamics
Statistical mechanics
Dimers
One-dimensional lattice
Transfer matrix method
dc.subject.cnpq.fl_str_mv CIENCIAS EXATAS E DA TERRA::FISICA
description In this Thesis we propose to describe the thermodynamical properties of dimer chains in a one-dimensional lattice rstly considering q-states of chain orientation in the lattice and secondly by a three states model where the chain orientation is associated with a energy " > 0 or " = 0. For this reason we describe our system by a microcanonical ensemble to get the canonical partition function and through this function obtain the Helmholtz free energy, the entropy, internal energy and pressure. We solved also the problem by adopting the grand canonical ensemble using the transfer matrix method and we get in the thermodynamical limit the equivalence between both ensembles. However the analysis of the thermodynamic properties for systems with nite size is quite relevant since for these nite systems can be found a inequivalence of ensembles. Thereby we performed a detailed study of the Statistical Mechanics for nite particles systems verifying the equivalence o ensembles.
publishDate 2016
dc.date.issued.fl_str_mv 2016-10-31
dc.date.accessioned.fl_str_mv 2017-04-20T13:54:43Z
dc.date.available.fl_str_mv 2017-04-20T13:54:43Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/doctoralThesis
format doctoralThesis
status_str publishedVersion
dc.identifier.citation.fl_str_mv NASCIMENTO, Denise Andrade do. Comportamento termodinâmico de cadeias de dímeros. 2016. Tese (Doutorado em Física) – Universidade Federal de São Carlos, São Carlos, 2016. Disponível em: https://repositorio.ufscar.br/handle/ufscar/8656.
dc.identifier.uri.fl_str_mv https://repositorio.ufscar.br/handle/ufscar/8656
identifier_str_mv NASCIMENTO, Denise Andrade do. Comportamento termodinâmico de cadeias de dímeros. 2016. Tese (Doutorado em Física) – Universidade Federal de São Carlos, São Carlos, 2016. Disponível em: https://repositorio.ufscar.br/handle/ufscar/8656.
url https://repositorio.ufscar.br/handle/ufscar/8656
dc.language.iso.fl_str_mv por
language por
dc.relation.confidence.fl_str_mv 600
600
dc.relation.authority.fl_str_mv 0c4db4d6-5aa4-4916-91f8-dbc89c346249
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Universidade Federal de São Carlos
Câmpus São Carlos
dc.publisher.program.fl_str_mv Programa de Pós-Graduação em Física - PPGF
dc.publisher.initials.fl_str_mv UFSCar
publisher.none.fl_str_mv Universidade Federal de São Carlos
Câmpus São Carlos
dc.source.none.fl_str_mv reponame:Repositório Institucional da UFSCAR
instname:Universidade Federal de São Carlos (UFSCAR)
instacron:UFSCAR
instname_str Universidade Federal de São Carlos (UFSCAR)
instacron_str UFSCAR
institution UFSCAR
reponame_str Repositório Institucional da UFSCAR
collection Repositório Institucional da UFSCAR
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