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Catalytic hydrolysis of carbonyl sulphide and carbon disulphide over Fe2O3 cluster: Competitive adsorption and reaction mechanism.

ABSTRACT: The competitive adsorption and reaction mechanism for the catalytic hydrolysis of carbonyl sulphide (COS) and carbon disulphide (CS2) over Fe2O3 cluster was investigated. Compared with experimental results, the theoretical study was used to further investigate the competitive adsorption and effect of H2S in the hydrolysis reaction of COS and CS2. Experimental results showed that Fe2O3 cluster enhanced the catalytic hydrolysis effect. Meanwhile, H2S was not conducive to the hydrolysis of COS and CS2. Theoretical calculations indicated that the order of competitive adsorption on Fe2O3 is as follows: H2O (strong) >CS2 (medium) >COS (weak). In the hydrolysis process, the C=S bond cleavage occurs easier than C=O bond cleavage. The hydrolysis reaction is initiated via the migration of an H-atom, which triggers C=S bond cleavage and S-H bond formation. Additionally, we find the first step of CS2 hydrolysis to be rate limiting. The presence of H2S increases the reaction energy barrier, which is not favourable for COS hydrolysis. Fe2O3 can greatly decrease the maximum energy barrier, which decreases the minimum energy required for hydrolysis, making it relatively facile to occur. In general, the theoretical results were consistent with experimental results, which proved that the theoretical study was reliable.

SUBMITTER: Ning P

PROVIDER: S-EPMC5663713 | biostudies-other | 2017 Oct

REPOSITORIES: biostudies-other

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Catalytic hydrolysis of carbonyl sulphide and carbon disulphide over Fe2O3 cluster: Competitive adsorption and reaction mechanism.

Ning Ping P Song Xin X Li Kai K Wang Chi C Tang Lihong L Sun Xin X

Scientific reports 20171031 1

The competitive adsorption and reaction mechanism for the catalytic hydrolysis of carbonyl sulphide (COS) and carbon disulphide (CS2) over Fe2O3 cluster was investigated. Compared with experimental results, the theoretical study was used to further investigate the competitive adsorption and effect of H2S in the hydrolysis reaction of COS and CS2. Experimental results showed that Fe2O3 cluster enhanced the catalytic hydr ...[more]

PMID: 29089583

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Project description:Background and aimsCluster roots (CRs) constitute a special root adaptation that enables plants to take up nutrients, especially phosphorus (P), from soils with low nutrient availability, including recent volcanic deposits. It is unclear, however, how CR species interact with non-cluster root-bearing (NCR) species, and how substrates' fertility modulates potential interactions.MethodsWe experimentally assessed the net interaction between CR and NCR species using two substrates of contrasting fertility: nutrient-rich nursery mix and tephra (low P availability). We planted seedlings of two southern South American (SSA) Proteaceae, CR species and two NCR Nothofagus species in pairs (conspecifics and heterospecifics) and as singles. We analysed the effect of seedling neighbours on survival, growth performance (e.g. total biomass and leaf area) and leaf and substrate nutrient concentrations (including manganese, a proxy for P-acquisition efficiency through CR activity) using the relative interaction index.Key resultsAfter three growing seasons, we found that (1) Proteaceae species had fewer CRs and lower CR biomass and grew less in the tephra than in the nursery substrate; (2) Nothofagus species did not improve their survival and growth in the presence of Proteaceae species in any substrate; (3) contrary to Nothofagus, Proteaceae species improved their growth more when planted with any neighbour (including conspecifics) than when planted alone, which was accompanied by a significant accretion of leaf P; and (4) the presence of a neighbour increased the final nitrogen and P concentrations in the nursery substrate, regardless of species identity.ConclusionsCRs provide Proteaceae a competitive advantage over NCR species at the seedling stage, which may have important consequences for species coexistence and community structuring. The investigated SSA Proteaceae, which have not evolved in nutrient-impoverished soils, as have their relatives in south-western Australia and South Africa, improve their growth when cultivated in pairs, especially in nutrient-rich substrates.

Dataset Information

Catalytic hydrolysis of carbonyl sulphide and carbon disulphide over Fe2O3 cluster: Competitive adsorption and reaction mechanism.

Publications

Catalytic hydrolysis of carbonyl sulphide and carbon disulphide over Fe<sub>2</sub>O<sub>3</sub> cluster: Competitive adsorption and reaction mechanism.

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