alternativeАльтернативная энергетика и экология (ISJAEE)Alternative Energy and Ecology (ISJAEE)1608-8298Международный издательский дом научной периодики "Спейс10.15518/isjaee.2019.13-15.52-61alternative-1700Research ArticleIV. ВОДОРОДНАЯ ЭКОНОМИКА 12. Водородная экономикаIV. HYDROGEN ECONOMY. 12. Hydrogen EconomyTеоретическое исследование водородно-сорбционных свойств борокарбидов лития и магнияTheoretical Study of Hydrogen-Sorption Properties of Lithium and Magnesium BorocarbidesЗагинайченкоС. Ю.ZaginaichenkoS. Yu.

Светлана Юрьевна Загинайченко - доктор физико-математических наук, ведущий научный сотрудник отдела № 67

д. 3, ул. Кржижановского, Киев, 03142

Svetlana Zaginaichenko - D.Sc. in Physics and Mathematics, Professor, Senior Researcher at Laboratory no. 67 “Investigation of Processes and Systems of Hydrogen and Solar-Hydrogen Energy Transformation” 

3 Krzhyzhanovsky Str., Kiev, 03142

ЗарицкийД. А.ZaritskiiD. A.

д. 13, ул. Научная, Днепропетровск, 49050

13 Nauchnaya Str., Dnepropetrovsk, 49050

ЩурД. В.SchurD. V.

Дмитрий Викторович Щур - кандидат химических наук, заведующий отделом № 67 «Водородного материаловедения и углеродных наноструктур»

д. 3, ул. Кржижановского, Киев, 03142

Dmitry Schur - Ph.D. in Chemistry, Professor, Chief of Laboratory no. 67 “Investigation of Processes and Systems of Hydrogen and Solar-Hydrogen Energy Transformation”

3 Krzhyzhanovsky Str., Kiev, 03142

shurzag@ipms.kiev.uaМатысинаЗ. А.MatysinaZ. A.

д. 3, ул. Кржижановского, Киев, 03142

3 Krzhyzhanovsky Str., Kiev, 03142

ВезироглуТ. Н.VezirogluN.

Турхан Н. Везироглу - доктор наук (теплообмен), профессор, президент Международной ассоциации водородной энергетики, член 18 научных организаций      

5794 SW 40 ул. # 303, Майами, Флорида, 33155

T. Nejat Veziroglu – Ph.D. in Heat Transfer, Professor, President of International Association for Hydrogen Energy, a member of 18 scientific organizations

13 Nauchnaya Str., Dnepropetrovsk, 49050

ЧимбайМ. В.ChymbaiM. V.

д. 3, ул. Кржижановского, Киев, 03142

3 Krzhyzhanovsky Str., Kiev, 03142

KoпыловаЛ. И.KopylovaL. I.

д. 3, ул. Кржижановского, Киев, 03142

3 Krzhyzhanovsky Str., Kiev, 03142

Институт проблем материаловедения им. И.Н. Францевича НАН УкраиныУкраинаFrantsevich Institute for Problems of Materials Science of NASUUkraineДнепропетровский национальный университетУкраинаDnepropetrovsk National UniversityUkraineМеждународная ассоциация по водородной энергетикеСоединённые Штаты АмерикиDnepropetrovsk National UniversityUnited States201926062019013-155261Copyright © Международный издательский дом научной периодики "Спейс, 20192019Международный издательский дом научной периодики "СпейсМеждународный издательский дом научной периодики "Спейсhttps://www.isjaee.com/jour/about/submissions#copyrightNoticehttps://www.isjaee.com/jour/article/view/1700

В данной работе была разработана статистическая теория водородосорбционных свойств соединений щелочных и щелочноземельных металлов M(BC)nHx (M = Li, Mg; 0 ≤ x ≤ 12, n = 1,2), поскольку ожидается, что такие гидрированные карбиды бора будут перспективными материалами для обратимого накопления и хранения водорода в больших количествах. Расчет свободной энергии этих кристаллов был выполнен на основе молекулярно-кинетических представлений, и выведено уравнение термодинамического равновесия такой системы, определяющее фазовую диаграмму P-T-c. Установлено, что растворимость водорода в этих соединениях зависит от температуры и внешнего давления, подтверждена возможность проявления эффекта гистерезиса. Полученные формулы позволяют установить P-, T-условия высокого содержания водорода в карбидных системах бора и могут позволить выбрать оптимальный состав материала для хранения водорода, режим технологического процесса, разработать экспериментальную технологию решения практических проблем, в случае если энергетические параметры этих материалов известны из независимых экспериментов.

The statistical theory of hydrogen-sorption properties of compounds of alkaline and alkaline-earth metals M(BC)nHx (M = Li, Mg; 0 ≤ x ≤ 12, n = 1,2) has been developed in this paper in the expectation that such hydrogenated boron carbides will be the reliable materials for the reversible accumulation and storage of hydrogen in large quantities in perspective. The calculation of free energy of these crystals has been performed on the basis of molecular-kinetic notions, the equation of thermodynamic equilibrium of such system, determining the P-T-c phase diagram, has been derived in the present paper. The hydrogen solubility in these compounds has been ascertained in dependence on temperature and external pressure, the possibility of manifestation of hysteresis effect has been justified. The derived formulae allow to establish the P, T-conditions of high hydrogen content in boron carbide systems and can permit to select the optimum composition of material choosing for hydrogen storage, the regime of technological process, to develop the experimental technology for solving of the practical problems, if in this case the energetic parameters of these materials are known from independent experiments.

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