Hydration free energy of hard-sphere solute over a wide range of size studied by various types of solution theories
The hydration free energy of hard-sphere solute is evaluated over a wide range of size using the method of energy representation, information-theoretic approach, reference interaction site model, and scaled-particle theory. The former three are distribution function theories and the hydration free...
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| Дата: | 2007 |
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| Автори: | , , |
| Формат: | Стаття |
| Мова: | English |
| Опубліковано: |
Інститут фізики конденсованих систем НАН України
2007
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| Назва видання: | Condensed Matter Physics |
| Онлайн доступ: | http://dspace.nbuv.gov.ua/handle/123456789/118895 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Цитувати: | Hydration free energy of hard-sphere solute over a wide range of size studied by various types of solution theories / N. Matubayasi, M. Kinoshita, M. Nakahara // Condensed Matter Physics. — 2007. — Т. 10, № 4(52). — С. 471-480. — Бібліогр.: 37 назв. — англ. |
Репозитарії
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irk-123456789-1188952017-06-02T03:04:00Z Hydration free energy of hard-sphere solute over a wide range of size studied by various types of solution theories Matubayasi, N. Kinoshita, M. Nakahara, M. The hydration free energy of hard-sphere solute is evaluated over a wide range of size using the method of energy representation, information-theoretic approach, reference interaction site model, and scaled-particle theory. The former three are distribution function theories and the hydration free energy is formulated to reflect the solution structure through distribution functions. The presence of the volume-dependent term is pointed out for the distribution function theories, and the asymptotic behavior in the limit of large solute size is identified. It is indicated that the volume-dependent term is a key to the improvement of distribution function theories toward the application to large molecules. Вiльна енергiя гiдратацiї твердих сфер в широкому iнтервалi розмiрiв розрахована методами енергетичного представлення, iнформацiйно-теоретичного пiдходу, методом базисних взаємодiючих силових центрiв та на основi теорiї масштабної частинки. Першi з трьох пов’язанi з методом функцiй розподiлу, а вiльна енергiя гiдратацiї вiдображає структуру розчину через функцiї розподiлу. Присутнiсть об’ємно-залежного доданка виходить за рамки теорiй на основi функцiй розподiлу. Асимптотична поведiнка в границi великої твердої сфери є iдентифiкована. Це вказує, що об’ємно-залежний доданок є ключовим для покращення теорiй, базованих на функцiях розподiлу, в застосуваннях до великих молекул. 2007 Article Hydration free energy of hard-sphere solute over a wide range of size studied by various types of solution theories / N. Matubayasi, M. Kinoshita, M. Nakahara // Condensed Matter Physics. — 2007. — Т. 10, № 4(52). — С. 471-480. — Бібліогр.: 37 назв. — англ. 1607-324X PACS: 05.20.Jj, 61.20.Gy, 61.20.Ne, 61.20.Qg, 61.25.Em, 82.60.Lf DOI:10.5488/CMP.10.4.471 http://dspace.nbuv.gov.ua/handle/123456789/118895 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 |
The hydration free energy of hard-sphere solute is evaluated over a wide range of size using the method of
energy representation, information-theoretic approach, reference interaction site model, and scaled-particle
theory. The former three are distribution function theories and the hydration free energy is formulated to reflect
the solution structure through distribution functions. The presence of the volume-dependent term is pointed out
for the distribution function theories, and the asymptotic behavior in the limit of large solute size is identified.
It is indicated that the volume-dependent term is a key to the improvement of distribution function theories
toward the application to large molecules. |
| format |
Article |
| author |
Matubayasi, N. Kinoshita, M. Nakahara, M. |
| spellingShingle |
Matubayasi, N. Kinoshita, M. Nakahara, M. Hydration free energy of hard-sphere solute over a wide range of size studied by various types of solution theories Condensed Matter Physics |
| author_facet |
Matubayasi, N. Kinoshita, M. Nakahara, M. |
| author_sort |
Matubayasi, N. |
| title |
Hydration free energy of hard-sphere solute over a wide range of size studied by various types of solution theories |
| title_short |
Hydration free energy of hard-sphere solute over a wide range of size studied by various types of solution theories |
| title_full |
Hydration free energy of hard-sphere solute over a wide range of size studied by various types of solution theories |
| title_fullStr |
Hydration free energy of hard-sphere solute over a wide range of size studied by various types of solution theories |
| title_full_unstemmed |
Hydration free energy of hard-sphere solute over a wide range of size studied by various types of solution theories |
| title_sort |
hydration free energy of hard-sphere solute over a wide range of size studied by various types of solution theories |
| publisher |
Інститут фізики конденсованих систем НАН України |
| publishDate |
2007 |
| url |
http://dspace.nbuv.gov.ua/handle/123456789/118895 |
| citation_txt |
Hydration free energy of hard-sphere solute over a wide range of size studied by various types of solution theories / N. Matubayasi, M. Kinoshita, M. Nakahara // Condensed Matter Physics. — 2007. — Т. 10, № 4(52). — С. 471-480. — Бібліогр.: 37 назв. — англ. |
| series |
Condensed Matter Physics |
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2023-10-18T20:33:15Z |
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2023-10-18T20:33:15Z |
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