Adsorption of chain molecules in pores with crystalline walls: a density functional approach
A microscopic density functional theory of adsorption of chain molecules on the attractive solid surfaces of crystalline symmetry is developed. The proposed approach is based on the expansions of one-particle functions into two-dimensional Fourier series. Illustrative calculations for dimers, 8- a...
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| Дата: | 2009 |
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| Автори: | , , , |
| Формат: | Стаття |
| Мова: | English |
| Опубліковано: |
Інститут фізики конденсованих систем НАН України
2009
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| Назва видання: | Condensed Matter Physics |
| Онлайн доступ: | http://dspace.nbuv.gov.ua/handle/123456789/119764 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Цитувати: | Adsorption of chain molecules in pores with crystalline walls: a density functional approach / K. Bucior, A. Patrykiejew, S. Sokołowski, O. Pizio // Condensed Matter Physics. — 2009. — Т. 12, № 1. — С. 51-62. — Бібліогр.: 40 назв. — англ. |
Репозитарії
Digital Library of Periodicals of National Academy of Sciences of Ukraine| id |
irk-123456789-119764 |
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dspace |
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irk-123456789-1197642017-06-09T03:04:36Z Adsorption of chain molecules in pores with crystalline walls: a density functional approach Bucior, K. Patrykiejew, A. Sokołowski, S. Pizio, O. A microscopic density functional theory of adsorption of chain molecules on the attractive solid surfaces of crystalline symmetry is developed. The proposed approach is based on the expansions of one-particle functions into two-dimensional Fourier series. Illustrative calculations for dimers, 8- and 16-mers adsorbed on a (100) fcc crystal surface indicate the effect of the periodicity of the adsorbing potential on the structure of the adsorbed layer and thermodynamics of adsorption. Розвинуто мiкроскопiчну теорiю функцiоналу густини для вивчення адсорбцiї ланцюгових молекул на притягальних твердих поверхнях кристалiчної симетрiї. Запропонований пiдхiд ґрунтується на розкладах одночастинкових функцiй у двовимiрнi ряди Фур’є. Для iлюстрацiї проведено обчислення для димерiв, 8- i 16-мерiв, що адсорбованi на кристалiчнiй поверхнi (100) fcc, якi демонструють вплив перiодичностi адсорбуючого потенцiалу на структуру адсорбованого шару i термодинамiку адсорбцiї. 2009 Article Adsorption of chain molecules in pores with crystalline walls: a density functional approach / K. Bucior, A. Patrykiejew, S. Sokołowski, O. Pizio // Condensed Matter Physics. — 2009. — Т. 12, № 1. — С. 51-62. — Бібліогр.: 40 назв. — англ. 1607-324X PACS: 68.08.-p, 68.43.Fg, 82.35.Gh, 68.43.-h DOI:10.5488/CMP.12.1.51 http://dspace.nbuv.gov.ua/handle/123456789/119764 en Condensed Matter Physics Інститут фізики конденсованих систем НАН України |
| institution |
Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| collection |
DSpace DC |
| language |
English |
| description |
A microscopic density functional theory of adsorption of chain molecules on the attractive solid surfaces of
crystalline symmetry is developed. The proposed approach is based on the expansions of one-particle functions
into two-dimensional Fourier series. Illustrative calculations for dimers, 8- and 16-mers adsorbed on a
(100) fcc crystal surface indicate the effect of the periodicity of the adsorbing potential on the structure of the
adsorbed layer and thermodynamics of adsorption. |
| format |
Article |
| author |
Bucior, K. Patrykiejew, A. Sokołowski, S. Pizio, O. |
| spellingShingle |
Bucior, K. Patrykiejew, A. Sokołowski, S. Pizio, O. Adsorption of chain molecules in pores with crystalline walls: a density functional approach Condensed Matter Physics |
| author_facet |
Bucior, K. Patrykiejew, A. Sokołowski, S. Pizio, O. |
| author_sort |
Bucior, K. |
| title |
Adsorption of chain molecules in pores with crystalline walls: a density functional approach |
| title_short |
Adsorption of chain molecules in pores with crystalline walls: a density functional approach |
| title_full |
Adsorption of chain molecules in pores with crystalline walls: a density functional approach |
| title_fullStr |
Adsorption of chain molecules in pores with crystalline walls: a density functional approach |
| title_full_unstemmed |
Adsorption of chain molecules in pores with crystalline walls: a density functional approach |
| title_sort |
adsorption of chain molecules in pores with crystalline walls: a density functional approach |
| publisher |
Інститут фізики конденсованих систем НАН України |
| publishDate |
2009 |
| url |
http://dspace.nbuv.gov.ua/handle/123456789/119764 |
| citation_txt |
Adsorption of chain molecules in pores with crystalline walls: a density functional approach / K. Bucior, A. Patrykiejew, S. Sokołowski, O. Pizio // Condensed Matter Physics. — 2009. — Т. 12, № 1. — С. 51-62. — Бібліогр.: 40 назв. — англ. |
| series |
Condensed Matter Physics |
| work_keys_str_mv |
AT buciork adsorptionofchainmoleculesinporeswithcrystallinewallsadensityfunctionalapproach AT patrykiejewa adsorptionofchainmoleculesinporeswithcrystallinewallsadensityfunctionalapproach AT sokołowskis adsorptionofchainmoleculesinporeswithcrystallinewallsadensityfunctionalapproach AT pizioo adsorptionofchainmoleculesinporeswithcrystallinewallsadensityfunctionalapproach |
| first_indexed |
2023-10-18T20:35:22Z |
| last_indexed |
2023-10-18T20:35:22Z |
| _version_ |
1796150594973466624 |