Квантово-хімічне моделювання взаємодії сірководню та кисню з активним вугіллям
Quantum-chemical modeling of hydrogen sulfide oxidation and oxygen reduction on activated carbon had been studied . Calculations of interaction quinoid groups activated carbon with hydrogen sulfide molecules indicate the possibility of passage of this process with formation of amorphous mixture H2Sx...
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| Date: | 2013 |
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| Main Authors: | , , , , , |
| Format: | Article |
| Language: | Russian |
| Published: |
Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine
2013
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| Online Access: | https://surfacezbir.com.ua/index.php/surface/article/view/514 |
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| Journal Title: | Surface |
| Download file: |  |
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Surface| Summary: | Quantum-chemical modeling of hydrogen sulfide oxidation and oxygen reduction on activated carbon had been studied . Calculations of interaction quinoid groups activated carbon with hydrogen sulfide molecules indicate the possibility of passage of this process with formation of amorphous mixture H2Sx and molecular sulfur. Regeneration of carbon carries out by the oxidation of hydroxyl groups up to quinoid. It was found that high-spin states of simulating structural fragments activated carbon clusters contribute  by passaging of  Red / Ox- processes. |
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