najoNanosystems: Physics, Chemistry, MathematicsНаносистемы: физика, химия, математика2220-80542305-7971Университет ИТМО10.17586/2220-8054-2024-15-6-950-958najo-205Research ArticleCHEMISTRY AND MATERIALS SCIENCEХИМИЯ И НАУКА О МАТЕРИАЛАХThermodynamics of gas mixtures in nanoporous materials: Extension to non-ideal systems at high pressuresТермодинамика газовых смесей в нанопористых материалах: Расширение на неидеальные системы при высоких давленияхhttps://orcid.org/0009-0002-1803-8464КузнецоваТ.KuznetsovaT. A.

Татьяна Кузнецова, химический факультет 

ГСП-1, Ленинские горы, Москва, 119991

Tatiana A. Kuznetsova, Chemistry Department

GSP-1, Leninskie Gory, Moscow, 119991

tchess54@mail.ruhttps://orcid.org/0000-0003-4668-1326УстиновЕ.UstinovE. A.

Евгений Устинов

Политехническая ул., 26, Санкт-Петербург, 194021

Eugene A. Ustinov

26 Polytechnicheskaya, St. Petersburg, 194021

eustinov@mail.ioffe.ruМГУ им. М.В. ЛомоносоваLomonosov Moscow State UniversityФТИ им. А.Ф. Иоффе РАНIoffe Institute202405062025156950958Copyright © Kuznetsova T.A., Ustinov E.A., 20252025Кузнецова Т., Устинов Е.Kuznetsova T.A., Ustinov E.A.Данная работа распространяется под лицензией Creative Commons Attribution 4.0.This work is licensed under a Creative Commons Attribution 4.0 License.https://nanojournal.ifmo.ru/jour/article/view/205

In this work, we developed a phenomenological approach to describe the equilibrium adsorption of nonideal gas mixtures in nanoporous adsorbents over a wide pressure range. The key point of the developed approach is an observation that the Gibbs free energy of a gas mixture is close to its ideal term. This feature, being more general than the empirical Raoult’s law in the ideal adsorbed solution theory (IAST), was combined with the distribution of elements of the adsorption volume (EAV) of the porous material over potentials in the spirit of Polanyi’s theory. We applied this approach to the adsorption of individual and binary gas mixtures of CO2, CH4, and N2 on an activated carbon in a wide pressure range up to 13 MPa. The approach provides high accuracy in predicting the adsorption of gas mixtures based on individual adsorption isotherms and obeys the Gibbs-Duhem equation, which confirms its thermodynamic consistency

В этой работе мы разработали феноменологический подход для описания равновесной адсорбции неидеальных газовых смесей в нанопористых адсорбентах в широком диапазоне давлений. Ключевым моментом разработанного подхода является наблюдение, что свободная энергия Гиббса газовой смеси близка к своему идеальному значению. Эта особенность, являющаяся более общей, чем эмпирический закон Рауля в теории идеального адсорбционного раствора (IAST), была объединена с распределением элементов адсорбционного объема (EAV) пористого материала по потенциалам в духе теории Поляни. Мы применили этот подход к адсорбции индивидуальных и бинарных газовых смесей CO2, CH4 и N2 на активированном угле в широком диапазоне давлений до 13 МПа. Этот подход обеспечивает высокую точность прогнозирования адсорбции газовых смесей на основе индивидуальных изотерм адсорбции и подчиняется уравнению Гиббса-Дюгема, что подтверждает его термодинамическую непротиворечивость.

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The authors declare that there are no conflicts of interest present.