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1.
Heliyon ; 8(8): e10129, 2022 Aug.
Article in English | MEDLINE | ID: mdl-36042723

ABSTRACT

Poor wastewater management remains a critical health and environmental challenge in most developing countries in Sub-Saharan Africa due to the lack of adequate infrastructure for collection and treatment. This study evaluated the performance and methane production of a full-scale upflow anaerobic sludge blanket (UASB) reactor of capacity 18000 m3/d, with post-treatment unit: trickling filters followed by final settling tanks for municipal wastewater treatment in Ghana. Data was collected on operational conditions and physicochemical parameters of wastewater (influent and effluent) over a period of 35 weeks in 2021 (from January to August). The influent biochemical oxygen demand to chemical oxygen demand (BOD:COD) ratio was 0.58 ± 0.16, indicating the presence of highly biodegradable compounds in the sewage. Operational conditions for the UASB reactors were observed to be within the optimal range for anaerobic systems, with an applied organic loading rate of 1.30 ± 0.79 kgCOD/m3/d. Generally, Plant performance was satisfactory with carbon removal at 93% for COD and 98% for BOD. Biogas yield was 0.2 m3/kgCOD removed, culminating in an average biogas production rate of 831.6 ± 292.7 m3/d. Average methane composition was 64.7 ± 11.9% of the biogas output, whilst an estimated 35% of the methane generated remained dissolved in the UASB effluent. The UASB reactor presents an efficient technology that can be implemented in developing countries for effective and sustainable wastewater management.

2.
Springerplus ; 5(1): 867, 2016.
Article in English | MEDLINE | ID: mdl-27386316

ABSTRACT

The mechanistic aspects of ethylene addition to MO2(CH2)(CH3) (M=Co, Rh, Ir) have been investigated with a Hartree-Fock/DFT hybrid functional at the MO6/LACVP* and B3LYP/LACVP* levels of theory to elucidate the reaction pathways on the singlet, doublet and triplet potential energy surfaces (PES). In the reaction of the IrO2CH2CH3 complex with ethylene, [3 + 2]C,O addition is the most plausible pathway on the singlet PES, the [3 + 2]O,O addition is the most favoured pathway on the doublet surface whiles the stepwise [1 + 1] addition involving the oxygen atom of the complex in the first step and the carbon atom of the complex in the second step is the most plausible pathway on the triplet PES. For the reaction of the RhO2(CH2)(CH3) complex, the [2 + 2]Rh,O addition pathway is the most favoured on the singlet surface, the [2 + 2]Rh,C is the most plausible pathway on the triplet PES and [3 + 2]C,O is the most plausible on the doublet surface. For the reactions of the CoO2(CH2)(CH3) complex, the [1 + 2]O addition is the most plausible on the singlet PES, [3 + 2]C=Co=O cycloaddition to form the five-membered intermediate is the most preferred pathway on the doublet PES, whiles on the triplet PES the preferred pathway is the [3 + 2] addition across the O=Co=O bond of the metal complex. The reactions of olefins with the Co dioxo complex have lower activation barriers for the preferred [3 + 2] and [2 + 2] addition pathways as well as fewer side reactions than those of the rhodium and iridium systems. This could imply that the cobalt dioxo complexes can efficiently and selectively catalyze specific reactions in oxidation of olefins than Rh and Ir oxo complexes will do and therefore Co oxo complexes may be better catalysts for specific oxidation reactions of olefins than Rh and Ir complexes are. The activation barriers for the formation of the four-or five-membered metallacycle intermediates through [2 + 2] or [3 + 2] cyclo-addition are lower on the triplet PES than on the singlet PES for the formation of similar analogues. There are fewer competitive reaction pathways on the triplet surface than on the singlet PES. Also, cycloadditions that seem impossible on the singlet PES seem possible on the doublet and or triplet PESs, this is the case typically for the Rh and Co complexes, illustrating the importance of multiple spin states in organometallic reactions.Graphical AbstractTable of Contents Synopsis: A study of the mechanism of ethylene addition to MO2(CH2)(CH3)(M=Co,Rh,Ir) shows the reactions of the Co complex have lower activation barriers for the preferred [3+2] and [2+2] addition pathways and fewer side reactions than those of Rh and Ir. Reactions are more feasible and selective on the triplet PES than on the singlet PES. These illustrate the importance of multiple spin states in organometallic reactions and shows catalyst activity and selectivity decreases down the group.

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