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Articles by William Taifan
First-principles-informed energy span and microkinetic analysis of ethanol catalytic conversion to 1,3-butadiene on MgO
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First-principles micro-kinetic study of methane and hydrogen sulfide catalytic conversion to methanethiol/dimethylsulfide on Mo6S8 clusters: activity/selectivity of different promoters
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Surface chemistry of MgO/SiO2 catalysts during the ethanol catalytic conversion to 1,3-butadiene: in situ DRIFTS and DFT study
1,3-butadiene is an important commodity chemical and new, selective routes of catalytic synthesis using green feedstock, such as ethanol, is of interest. For this purpose, surface chemistry of MgO/SiO2 catalyst synthesized using wet-kneading was explored during the reaction of ethanol and the corresponding reactive intermediates, including acetaldehyde, crotonaldehyde, crotyl alcohol using temperature programmed in situ DRIFT spectroscopy combined with DFT calculations.
CH4 and H2S reforming to CH3SH and H2 catalyzed by metal promoted Mo6S8 cluster: a first-principles micro-kinetic study
Direct processing of sour, e.g. containing large amounts of acidic H2S and or CO2 molecules, natural gas is of direct interest as vast amounts of it are available and accessible but are underutilized. While sour natural gas is still treated using energy intensive amine absorption/desorption, here we propose and describe a first step in catalytically producing value added chemical and energy carrier, CH3SH and H2, respectively.
Minireview: Direct catalytic conversion of sour natural gas (CH4+H2S+CO2) components to high value chemicals and fuels
The abundance of natural gas reserves can facilitate the transition from fossil derived to fully renewable chemical and fuel generation. Natural gas, however, can contain more than 10% sour gas molecules (chiefly CO2 and H2S), especially in the Middle East and Russia. Currently, the most common sour natural gas separation technologies rely on the use of various amine based absorption-desorption cycles in absorption towers, membrane separation and cryogenic processes.
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