A kinetic and quantum chemical studt on hydrogen peroxide decomposition over carbon, palladium, and palladium-carbon clusters
Activation (k30°С) and thermodynamic (Ea, A0) characteristics been measured of the H2O2 decomposition reaction oxer coal and Pd/C-catalysts have been found to here the greed catalytic activity, palladium being situated on outer surface or within subsurface layers of coal granular The H2O2 decomposit...
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| Datum: | 2018 |
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| Format: | Artikel |
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Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine
2018
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| author | Kuts, V. Gerasymyuk, I. Tarasenko, Yu. |
| author_facet | Kuts, V. Gerasymyuk, I. Tarasenko, Yu. |
| author_institution_txt_mv | [
{
"author": "V. Kuts",
"institution": "Інститут хімії поверхні ім. О.О. Чуйка Національної академії наук України"
},
{
"author": "I. Gerasymyuk",
"institution": "Інститут сорбції і проблем ендоекології Національної академії наук України"
},
{
"author": "Yu. Tarasenko",
"institution": "Інститут хімії поверхні ім. О.О. Чуйка Національної академії наук України"
}
] |
| author_sort | Kuts, V. |
| baseUrl_str | |
| collection | OJS |
| datestamp_date | 2018-11-29T10:02:44Z |
| description | Activation (k30°С) and thermodynamic (Ea, A0) characteristics been measured of the H2O2 decomposition reaction oxer coal and Pd/C-catalysts have been found to here the greed catalytic activity, palladium being situated on outer surface or within subsurface layers of coal granular The H2O2 decomposition reaction has been shown to k controlled by an entropy factor and to occur in similar type reactive complexes it “catalyst - H2O2”, as independent on palladium presence or absence on coal granule. Quantum chemical calculations on the electronic structures of Cn Pdn (n=2-33), and PdnC96 clusters simulated for coal, palladium, and Pd/C-catalysts have shown the decomposition process to depend on cluster sizes and to take place at n>9. In Pd4C96 cluster, electronic systems of C96 and Pd4 are joint what results in increasing donor-acceptor properties of Pd4C96 and those of Pd/C- catalysts what explains experimentally observed for such systems increasing their catalytical activity. |
| first_indexed | 2025-07-22T19:32:08Z |
| format | Article |
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| id | oai:ojs.pkp.sfu.ca:article-324 |
| institution | Surface |
| keywords_txt_mv | keywords |
| language | Russian |
| last_indexed | 2025-07-22T19:32:08Z |
| publishDate | 2018 |
| publisher | Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine |
| record_format | ojs |
| resource_txt_mv | surfacezbircomua/15/c4d6d0cccc181d4930fd84b029308115.pdf |
| spelling | oai:ojs.pkp.sfu.ca:article-3242018-11-29T10:02:44Z A kinetic and quantum chemical studt on hydrogen peroxide decomposition over carbon, palladium, and palladium-carbon clusters Кинетическое и квантовохимическое исследование реакции разложения H2O2 на кластерах Cn, Pdm И Cn/Pdm A kinetic and quantum chemical studt on hydrogen peroxide decomposition over carbon, palladium, and palladium-carbon clusters Kuts, V. Gerasymyuk, I. Tarasenko, Yu. Activation (k30°С) and thermodynamic (Ea, A0) characteristics been measured of the H2O2 decomposition reaction oxer coal and Pd/C-catalysts have been found to here the greed catalytic activity, palladium being situated on outer surface or within subsurface layers of coal granular The H2O2 decomposition reaction has been shown to k controlled by an entropy factor and to occur in similar type reactive complexes it “catalyst - H2O2”, as independent on palladium presence or absence on coal granule. Quantum chemical calculations on the electronic structures of Cn Pdn (n=2-33), and PdnC96 clusters simulated for coal, palladium, and Pd/C-catalysts have shown the decomposition process to depend on cluster sizes and to take place at n>9. In Pd4C96 cluster, electronic systems of C96 and Pd4 are joint what results in increasing donor-acceptor properties of Pd4C96 and those of Pd/C- catalysts what explains experimentally observed for such systems increasing their catalytical activity. Измерены активационные (k30°с) и термодинамические (Еа,Ао) характеристики реакции разложения Н2О2 на угольных и Рd/С катализаторах. Установлено, что наибольшей каталитической активностью обладают катализаторы Рd/С, в которых палладий находится на внешней поверхности или в приповерхностном слое угольных гранул. Показано, что реакция разложения Н2О2 контролируется энтропийным фактором и осуществляется в однотипных реащионноспособных комплексах «катализатор-Н2О2» независимо от наличия или отсутствия палладия на угольной грануле. Квантово-химические расчеты электронного строения кластеров Сn,Рdn и Рd4C96, моделирующихугольныные, палладиевые (Рdn, п = 2...33) и Рd/С катализаторы, показачи, что процесс разложения Н2О на кластерах Рdn зависит от размера кластера и осуществляется при n>9. В кластере Рd4C96 обобществляются электронные системы С96 и Рd4, что приводит к увеличению донорно-акцепторных свойств Рd4С96, а следовательно и Рd/С-катализаторов и объясняет экспериментально наблюдаемое для таких систем увеличение их каталитической активности.   Activation (k30°С) and thermodynamic (Ea, A0) characteristics been measured of the H2O2 decomposition reaction oxer coal and Pd/C-catalysts have been found to here the greed catalytic activity, palladium being situated on outer surface or within subsurface layers of coal granular The H2O2 decomposition reaction has been shown to k controlled by an entropy factor and to occur in similar type reactive complexes it “catalyst - H2O2”, as independent on palladium presence or absence on coal granule. Quantum chemical calculations on the electronic structures of Cn Pdn (n=2-33), and PdnC96 clusters simulated for coal, palladium, and Pd/C-catalysts have shown the decomposition process to depend on cluster sizes and to take place at n>9. In Pd4C96 cluster, electronic systems of C96 and Pd4 are joint what results in increasing donor-acceptor properties of Pd4C96 and those of Pd/C- catalysts what explains experimentally observed for such systems increasing their catalytical activity. Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine 2018-08-02 Article Article application/pdf https://surfacezbir.com.ua/index.php/surface/article/view/324 Surface; No. 15 (2009): Chemistry, Physics and Technology of Surface; 25-36 Поверхность; № 15 (2009): Химия, физика и технология поверхности; 25-36 Поверхня; № 15 (2009): Хімія, фізика та технологія поверхні; 25-36 3154-8091 3154-8083 ru https://surfacezbir.com.ua/index.php/surface/article/view/324/653 Авторське право (c) 2009 V. Kuts, I. Gerasymyuk, Yu. Tarasenko |
| spellingShingle | Kuts, V. Gerasymyuk, I. Tarasenko, Yu. A kinetic and quantum chemical studt on hydrogen peroxide decomposition over carbon, palladium, and palladium-carbon clusters |
| title | A kinetic and quantum chemical studt on hydrogen peroxide decomposition over carbon, palladium, and palladium-carbon clusters |
| title_alt | A kinetic and quantum chemical studt on hydrogen peroxide decomposition over carbon, palladium, and palladium-carbon clusters Кинетическое и квантовохимическое исследование реакции разложения H2O2 на кластерах Cn, Pdm И Cn/Pdm |
| title_full | A kinetic and quantum chemical studt on hydrogen peroxide decomposition over carbon, palladium, and palladium-carbon clusters |
| title_fullStr | A kinetic and quantum chemical studt on hydrogen peroxide decomposition over carbon, palladium, and palladium-carbon clusters |
| title_full_unstemmed | A kinetic and quantum chemical studt on hydrogen peroxide decomposition over carbon, palladium, and palladium-carbon clusters |
| title_short | A kinetic and quantum chemical studt on hydrogen peroxide decomposition over carbon, palladium, and palladium-carbon clusters |
| title_sort | kinetic and quantum chemical studt on hydrogen peroxide decomposition over carbon, palladium, and palladium-carbon clusters |
| url | https://surfacezbir.com.ua/index.php/surface/article/view/324 |
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