Vestnik of the Far East Branch of the Russian Academy of SciencesVestnik of the Far East Branch of the Russian Academy of SciencesВестник Дальневосточного отделения Российской академии наук0869-7698The Russian Academy of Sciences67744910.31857/S0869769824060093HSLBJFChemical sciences. Sorption processes and materialsХимические науки. Сорбционные процессы и материалыReview ArticleModeling of sorption equilibria: state of the art and prospects of models development for heterogeneous sorbentsМоделирование сорбционных равновесий: современное состояние и перспективы развития моделей сорбции на неоднородных сорбентахhttps://orcid.org/0000-0002-5306-2542GolikovА. P.ГоликовА. П.
Russian Federation

Candidate of Sciences in Chemistry, Senior Researcher

кандидат химических наук, старший научный сотрудник

glk@ich.dvo.ruMalakhovaI. A.МалаховаИ. А.
Russian Federation

Candidate of Sciences in Chemistry, Junior Researcher

кандидат химических наук, младший научный сотрудник

newira94@gmail.comhttps://orcid.org/0000-0003-4954-0422BratskayaS. Yu.БратскаяС. Ю.
Russian Federation

Doctor of Sciences in Chemistry, Chief Researcher

доктор химических наук, главный научный сотрудник

sbratska@ich.dvo.ruInstitute of Chemistry, FEB RASИнститут химии ДВО РАН05122024612714320032025Copyright ©; 2024, Russian Academy of SciencesCopyright ©; 2024, Российская академия наук2024Russian Academy of SciencesРоссийская академия наукhttps://journals.eco-vector.com/0869-7698/article/view/677449

For many years, adsorption remains one of the most universal and cost-effective approaches to purifying waters of various compositions and extracting valuable components from technological solutions. In addition to affinity, selectivity, and high sorption capacity, the kinetic characteristics of sorbents are of great importance, since they determine the productivity of both industrial sorption columns and small point-of-use filters operating at high flow rates. This review discusses the current state of the art in modeling sorption dynamics and a new approach to analysis of sorption equilibria using the model of sorption/desorption rate constants distribution (RCD) for heterogeneous sorbents developed at the Institute of Crystallography FEB RAS for predictive modeling of breakthrough curves based on the kinetic parameters of sorption centers (RCD functions) calculated from experimental data obtained under static conditions. Using as the example supermacroporous sorbents based on polyethyleneimine, it was shown how the RCD model and its variants, which take into account diffusion limitations and the presence of complexing agents, can be used to optimize conditions for the metal ions concentration and separation under dynamic conditions.

Адсорбция долгие годы остается одним из наиболее универсальных и экономически рентабельных подходов к очистке вод различного состава и извлечению ценных компонентов из технологических растворов. Помимо аффинности, селективности и высокой сорбционной емкости большое значение имеют кинетические характеристики сорбентов, поскольку они определяют производительность как промышленных сорбционных колонн, так и малогабаритных точечных фильтров, работающих при высоких скоростях потока. В данном обзоре обсуждается современное состояние методов моделирования динамики сорбции и новый подход к анализу сорбционных равновесий с использованием разработанной в ИХ ДВО РАН модели распределения констант скоростей (РКС) сорбции/десорбции на неоднородных сорбентах для предиктивного моделирования выходных кривых сорбции на основании кинетических параметров сорбционных центров (функций РКС), рассчитанных из экспериментальных данных, полученных в статических условиях. На примере супермакропористых сорбентов на основе полиэтиленимина показано, как модель РКС и ее варианты, учитывающие диффузионные ограничения и присутствие в растворе комплексообразователей, может применяться для оптимизации условий извлечения ионов металлов и их разделения за счет разной скорости сорбции в динамических условиях.

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