Second-order Barker-Henderson perturbation theory for the phase behavior of polydisperse Morse hard-sphere mixture
We propose an extension of the second-order Barker-Henderson perturbation theory for polydisperse hard-sphere multi-Morse mixture. To verify the accuracy of the theory, we compare its predictions for the limiting case of monodisperse system, with predictions of the very accurate reference hypernette...
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| Дата: | 2015 |
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| Автори: | , |
| Формат: | Стаття |
| Мова: | English |
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Інститут фізики конденсованих систем НАН України
2015
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| Назва видання: | Condensed Matter Physics |
| Онлайн доступ: | http://dspace.nbuv.gov.ua/handle/123456789/153539 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Цитувати: | Second-order Barker-Henderson perturbation theory for the phase behavior of polydisperse Morse hard-sphere mixture / T.V. Hvozd, Yu.V. Kalyuzhnyi // Condensed Matter Physics. — 2015. — Т. 18, № 1. — С. 13605:1-13. — Бібліогр.: 13 назв. — англ. |
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irk-123456789-1535392019-06-15T01:27:39Z Second-order Barker-Henderson perturbation theory for the phase behavior of polydisperse Morse hard-sphere mixture Hvozd, T.V. Kalyuzhnyi, Yu.V. We propose an extension of the second-order Barker-Henderson perturbation theory for polydisperse hard-sphere multi-Morse mixture. To verify the accuracy of the theory, we compare its predictions for the limiting case of monodisperse system, with predictions of the very accurate reference hypernetted chain approximation. The theory is used to describe the liquid--gas phase behavior of the mixture with different type and different degree of polydispersity. In addition to the regular liquid--gas critical point, we observe the appearance of the second critical point induced by polydispersity. With polydispersity increase, the two critical points merge and finally disappear. The corresponding cloud and shadow curves are represented by the closed curves with `liquid' and `gas' branches of the cloud curve almost coinciding for higher values of polydispersity. With a further increase of polydispersity, the cloud and shadow curves shrink and finally disappear. Our results are in agreement with the results of the previous studies carried out on the qualitative van der Waals level of description. Запропоновано застосування термодинамiчної теорiї збурень другого порядку Баркера-Хендерсона для дослiдження полiдисперсної сумiшi твердих сфер Морзе. Для перевiрки точностi порiвнюються результати цiєї теорiї для граничного випадку монодисперсної системи з результатами дуже точного базисного гiперланцюжкового наближення. Теорiя використовується для опису фазової поведiнки рiдина-газ для сумiшi з рiзними типами та рiзними ступенями полiдисперсностi. Окрiм звичайної критичної точки рiдина– газ, ми спостерiгаємо появу другої критичної точки, яка є зумовлена полiдисперснiстю. Iз збiльшенням полiдисперсностi цi двi критичнi точки зливаються i, нарештi, зникають. Вiдповiднi кривi хмари та тiнi представленi замкненими кривими з гiлками рiдина та газ, для кривої хмари вони майже збiгаються для вищих значень полiдисперсностi. При подальшому збiльшеннi полiдисперсностi кривi хмари та тiнi скорочуються i, нарештi, зникають. Нашi результати узгоджуються з результатами попереднiх дослiджень, якi були проведенi на якiсному рiвнi опису ван дер Ваальса. 2015 Article Second-order Barker-Henderson perturbation theory for the phase behavior of polydisperse Morse hard-sphere mixture / T.V. Hvozd, Yu.V. Kalyuzhnyi // Condensed Matter Physics. — 2015. — Т. 18, № 1. — С. 13605:1-13. — Бібліогр.: 13 назв. — англ. 1607-324X DOI:10.5488/CMP.18.13605 arXiv:1504.04255 PACS: 64.75.-g, 82.70.Dd http://dspace.nbuv.gov.ua/handle/123456789/153539 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 |
We propose an extension of the second-order Barker-Henderson perturbation theory for polydisperse hard-sphere multi-Morse mixture. To verify the accuracy of the theory, we compare its predictions for the limiting case of monodisperse system, with predictions of the very accurate reference hypernetted chain approximation. The theory is used to describe the liquid--gas phase behavior of the mixture with different type and different degree of polydispersity. In addition to the regular liquid--gas critical point, we observe the appearance of the second critical point induced by polydispersity. With polydispersity increase, the two critical points merge and finally disappear. The corresponding cloud and shadow curves are represented by the closed curves with `liquid' and `gas' branches of the cloud curve almost coinciding for higher values of polydispersity. With a further increase of polydispersity, the cloud and shadow curves shrink and finally disappear. Our results are in agreement with the results of the previous studies carried out on the qualitative van der Waals level of description. |
| format |
Article |
| author |
Hvozd, T.V. Kalyuzhnyi, Yu.V. |
| spellingShingle |
Hvozd, T.V. Kalyuzhnyi, Yu.V. Second-order Barker-Henderson perturbation theory for the phase behavior of polydisperse Morse hard-sphere mixture Condensed Matter Physics |
| author_facet |
Hvozd, T.V. Kalyuzhnyi, Yu.V. |
| author_sort |
Hvozd, T.V. |
| title |
Second-order Barker-Henderson perturbation theory for the phase behavior of polydisperse Morse hard-sphere mixture |
| title_short |
Second-order Barker-Henderson perturbation theory for the phase behavior of polydisperse Morse hard-sphere mixture |
| title_full |
Second-order Barker-Henderson perturbation theory for the phase behavior of polydisperse Morse hard-sphere mixture |
| title_fullStr |
Second-order Barker-Henderson perturbation theory for the phase behavior of polydisperse Morse hard-sphere mixture |
| title_full_unstemmed |
Second-order Barker-Henderson perturbation theory for the phase behavior of polydisperse Morse hard-sphere mixture |
| title_sort |
second-order barker-henderson perturbation theory for the phase behavior of polydisperse morse hard-sphere mixture |
| publisher |
Інститут фізики конденсованих систем НАН України |
| publishDate |
2015 |
| url |
http://dspace.nbuv.gov.ua/handle/123456789/153539 |
| citation_txt |
Second-order Barker-Henderson perturbation theory for the phase behavior of polydisperse Morse hard-sphere mixture / T.V. Hvozd, Yu.V. Kalyuzhnyi // Condensed Matter Physics. — 2015. — Т. 18, № 1. — С. 13605:1-13. — Бібліогр.: 13 назв. — англ. |
| series |
Condensed Matter Physics |
| work_keys_str_mv |
AT hvozdtv secondorderbarkerhendersonperturbationtheoryforthephasebehaviorofpolydispersemorsehardspheremixture AT kalyuzhnyiyuv secondorderbarkerhendersonperturbationtheoryforthephasebehaviorofpolydispersemorsehardspheremixture |
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2023-05-20T17:39:57Z |
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2023-05-20T17:39:57Z |
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