William Taifan
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View article: First-principles-informed energy span and microkinetic analysis of ethanol catalytic conversion to 1,3-butadiene on MgO
First-principles-informed energy span and microkinetic analysis of ethanol catalytic conversion to 1,3-butadiene on MgO Open
Kinetic modeling of single-step catalytic conversion of ethanol to 1,3-butadiene is necessary to inform accurate process design. This paper uses first-principles-informed energy span and microkinetic analysis to explore the reaction free e…
View article: First-principles-informed energy span and microkinetic analysis of ethanol catalytic conversion to 1,3-butadiene on MgO
First-principles-informed energy span and microkinetic analysis of ethanol catalytic conversion to 1,3-butadiene on MgO Open
First-principles-informed models elucidate the impact of energetic and kinetic limitations on selectivity and activity of ethanol conversion to 1,3-butadiene.
View article: First-principles-informed energy span and microkinetic analysis of ethanol catalytic conversion to 1,3-butadiene on MgO
First-principles-informed energy span and microkinetic analysis of ethanol catalytic conversion to 1,3-butadiene on MgO Open
Kinetic modeling of single-step catalytic conversion of ethanol to 1,3-butadiene is necessary to inform accurate process design. This paper uses first-principles-informed energy span and microkinetic analysis to explore the reaction free e…
View article: First-principles-informed energetic span and microkinetic analysis of ethanol catalytic conversion to 1,3-butadiene on MgO
First-principles-informed energetic span and microkinetic analysis of ethanol catalytic conversion to 1,3-butadiene on MgO Open
Kinetic modeling of single-step catalytic conversion of ethanol to 1,3-butadiene is necessary to inform accurate process design. This paper considers the synthesis of 1,3-butadiene on an MgO (100) step-edge using first-principles-informed …
View article: Spatially Resolved Product Speciation during Struvite Synthesis from Magnesite (MgCO<sub>3</sub>) Particles in Ammonium (NH<sub>4</sub><sup>+</sup>) and Phosphate (PO<sub>4</sub><sup>3–</sup>) Aqueous Solutions
Spatially Resolved Product Speciation during Struvite Synthesis from Magnesite (MgCO<sub>3</sub>) Particles in Ammonium (NH<sub>4</sub><sup>+</sup>) and Phosphate (PO<sub>4</sub><sup>3–</sup>) Aqueous Solutions Open
While population growth necessitates a significant increase in crop production, stringent environmental regulations require that it be done using sustainable nutrient sources. Nutrients in the form of NH4+ and PO43– are recovered from wast…
View article: First-principles microkinetic study of methane and hydrogen sulfide catalytic conversion to methanethiol/dimethyl sulfide on Mo<sub>6</sub>S<sub>8</sub> clusters: activity/selectivity of different promoters
First-principles microkinetic study of methane and hydrogen sulfide catalytic conversion to methanethiol/dimethyl sulfide on Mo<sub>6</sub>S<sub>8</sub> clusters: activity/selectivity of different promoters Open
A large fraction of the global natural gas reserves is in the form of sour gas, i.e. contains hydrogen sulfide (H2S) and carbon dioxide (CO2), and needs to be sweetened before utilization.
View article: <i>Operando</i> Structure Determination of Cu and Zn on Supported MgO/SiO<sub>2</sub> Catalysts during Ethanol Conversion to 1,3-Butadiene
<i>Operando</i> Structure Determination of Cu and Zn on Supported MgO/SiO<sub>2</sub> Catalysts during Ethanol Conversion to 1,3-Butadiene Open
The electronic structure and reactivity of Cu- and Zn-promoted wet-kneaded MgO/SiO2 catalysts was interrogated during ethanol reaction to 1,3-BD. A multimodal nature of characterization, including in situ or operando X-ray, electron, light…