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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| Veröffentlicht in: | Condensed Matter Physics |
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| Datum: | 2007 |
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| Format: | Artikel |
| Sprache: | English |
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Інститут фізики конденсованих систем НАН України
2007
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| Online Zugang: | https://nasplib.isofts.kiev.ua/handle/123456789/118895 |
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| Zitieren: | 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. |
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Matubayasi, N. Kinoshita, M. Nakahara, M. 2017-06-01T04:30:51Z 2017-06-01T04:30:51Z 2007 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 https://nasplib.isofts.kiev.ua/handle/123456789/118895 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. en Інститут фізики конденсованих систем НАН України Condensed Matter Physics Hydration free energy of hard-sphere solute over a wide range of size studied by various types of solution theories Вiльна енергiя гiдратацiї твердих сфер в широкiй областi розмiрiв дослiджувана рiзними теорiями розчинiв Article published earlier |
| institution |
Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| collection |
DSpace DC |
| title |
Hydration free energy of hard-sphere solute over a wide range of size studied by various types of solution theories |
| spellingShingle |
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. |
| 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 |
| author |
Matubayasi, N. Kinoshita, M. Nakahara, M. |
| author_facet |
Matubayasi, N. Kinoshita, M. Nakahara, M. |
| publishDate |
2007 |
| language |
English |
| container_title |
Condensed Matter Physics |
| publisher |
Інститут фізики конденсованих систем НАН України |
| format |
Article |
| title_alt |
Вiльна енергiя гiдратацiї твердих сфер в широкiй областi розмiрiв дослiджувана рiзними теорiями розчинiв |
| 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.
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.
|
| issn |
1607-324X |
| url |
https://nasplib.isofts.kiev.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. |
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| first_indexed |
2025-12-07T17:30:51Z |
| last_indexed |
2025-12-07T17:30:51Z |
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