Mark Saeys
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View article: Sustainable Fuels from CO<sub>2</sub>-Rich Synthesis Gas via Fischer–Tropsch Technology
Sustainable Fuels from CO<sub>2</sub>-Rich Synthesis Gas via Fischer–Tropsch Technology Open
CO2-containing synthesis gas is a relevant feedstock for the production of synthetic fuels using Fischer-Tropsch synthesis (FTS). We report the role of CO2 in CO2, CO, and H2 mixed feeds over a cobalt-based catalyst at 220 degrees C and 21…
View article: First‐Principles Microkinetic Models for Crowded Surfaces
First‐Principles Microkinetic Models for Crowded Surfaces Open
Catalytic reactions such as hydrogenations often occur on crowded surfaces. First‐principles microkinetic models are typically based on low‐coverage DFT calculations and therefore fail to capture the effect of the high coverage on the reac…
View article: Sustainable Fuels from CO2-rich synthesis gas via Fischer-Tropsch technology
Sustainable Fuels from CO2-rich synthesis gas via Fischer-Tropsch technology Open
CO2-containing synthesis gas is a relevant feedstock for the production of synthetic fuels using Fischer-Tropsch Synthesis. We report the role of CO2 in CO2, CO and H2 mixed feeds over a cobalt-based catalyst at 220 °C and 21 bar in a pack…
View article: Solid micellar catalysts: exploring the stability of Ru<sup>(III)</sup> single-sites in amorphous silica
Solid micellar catalysts: exploring the stability of Ru<sup>(III)</sup> single-sites in amorphous silica Open
The preferred location of Ru (III) single-sites in amorphous silica was studied. Ru (III) prefers octahedral coordination with 3 or 4 OSi ligands in areas with large rings and hydride affinity of these Ru (III) single-sites varies widely.
View article: Role of base in CO<sub>2</sub> hydrogenation to formate over a Ru<sup>(III)</sup> solid micellar catalyst
Role of base in CO<sub>2</sub> hydrogenation to formate over a Ru<sup>(III)</sup> solid micellar catalyst Open
In this study, the role of the base in CO 2 hydrogenation to formate over a Ru (III) @MCM catalyst is investigated by evaluating the influence of key reaction parameters, including temperature, pressure, pH, solvent, and amine type.
View article: Structural contributions of Zn in enhancing CO <sub>2</sub> hydrogenation to methanol over Zn <sub> <i>x</i> </sub> ZrO <sub> <i>y</i> </sub> catalysts
Structural contributions of Zn in enhancing CO <sub>2</sub> hydrogenation to methanol over Zn <sub> <i>x</i> </sub> ZrO <sub> <i>y</i> </sub> catalysts Open
While Zn and Zr are selective towards CO production, the addition of Zn to ZrO 2 shifts the selectivity to methanol by inducing a phase transformation from tetragonal to cubic ZrO 2 , enhancing methanol synthesis efficiency in CO 2 hydroge…
View article: Key Role of CO Coverage for Chain Growth in Co-Based Fischer–Tropsch Synthesis
Key Role of CO Coverage for Chain Growth in Co-Based Fischer–Tropsch Synthesis Open
Fischer-Tropsch synthesis converts CO and H-2 to long-chain hydrocarbons. The reaction mechanism, a combination of C-O scission, C-C coupling, and hydrogenation steps, and the nature of the active sites remain intensely debated. In this wo…
View article: Molecular Views on Fischer–Tropsch Synthesis
Molecular Views on Fischer–Tropsch Synthesis Open
For nearly a century, the Fischer-Tropsch (FT) reaction has been subject of intense debate. Various molecular views on the active sites and on the reaction mechanism have been presented for both Co- and Fe-based FT reactions. In the last 1…
View article: Rate Expressions in Mean Field Microkinetic Models Incorporating Multiple Types of Active Sites
Rate Expressions in Mean Field Microkinetic Models Incorporating Multiple Types of Active Sites Open
It is well known that heterogenous catalysts exhibit a distribution of sites/structures, some more active than others but more than one often being important to the underlying reaction mechanism(s). The inclusion of this reality in mean fi…
View article: Reshaping the Role of CO<sub>2</sub> in Propane Dehydrogenation: From Waste Gas to Platform Chemical
Reshaping the Role of CO<sub>2</sub> in Propane Dehydrogenation: From Waste Gas to Platform Chemical Open
The valorization of CO2 appeals to the chemical industry due to the reduction in greenhouse gas emissions and the ability to offer more renewable products. Propylene production is the second largest process in the chemical industry, and it…
View article: Rate Expressions in Mean Field Microkinetic Models Incorporating Multiple Types of Active Sites
Rate Expressions in Mean Field Microkinetic Models Incorporating Multiple Types of Active Sites Open
It is well known that heterogenous catalysts exhibit a distribution of sites/structures, some more active than others but more than one often being important to the underlying reaction mechanism(s). The inclusion of this reality in mean fi…
View article: Rate Expressions in Mean Field Microkinetic Models Incorporating Multiple Types of Active Sites
Rate Expressions in Mean Field Microkinetic Models Incorporating Multiple Types of Active Sites Open
It is well known that heterogenous catalysts exhibit a distribution of sites/structures, some more active than others but more than one often being important to the underlying reaction mechanism(s). The inclusion of this reality in mean fi…
View article: Upcycling the carbon emissions from the steel industry into chemicals using three metal oxide loops
Upcycling the carbon emissions from the steel industry into chemicals using three metal oxide loops Open
A new combined chemical looping process makes use of any gas stream containing CO 2 and fuel to produce carbon monoxide without external energy input. Carbon monoxide can be used for producing a variety of carbon-based products.
View article: Minimizing CO<sub>2</sub> emissions with renewable energy: a comparative study of emerging technologies in the steel industry
Minimizing CO<sub>2</sub> emissions with renewable energy: a comparative study of emerging technologies in the steel industry Open
Implementing CCUS technologies at existing steel plants reduces CO2 emissions by 70%, requiring 1.1 MW h per ton of renewable electricity. H2-based steel-making and CCU technologies require 4 and 8 times more electricity to reach similar r…
View article: Effect of boron promotion on coke formation during propane dehydrogenation over Pt/γ-Al2O3 catalysts
Effect of boron promotion on coke formation during propane dehydrogenation over Pt/γ-Al2O3 catalysts Open
The effect of boron promotion on the performance of 3 wt.% Pt/γ-Al2O3 catalysts during propane dehydrogenation was investigated. A series of boron-promoted Pt/XB-γ-Al2O3 catalysts were synthesized, tested, and characterized. The sequential…
View article: The intramolecular dynamics of a rigid yet twisty 'Ferrocenyl' TetraPhosphine : served with some 31P-NMR delicacy
The intramolecular dynamics of a rigid yet twisty 'Ferrocenyl' TetraPhosphine : served with some 31P-NMR delicacy Open
Polydentate ferrocenyl phosphines equipped with bulky functional groups are regarded as rigid ligands capable of stabilizing and/or activating a broad range of chemical compounds such as smaller complexes (being formed e.g. in transition m…
View article: The Chemical Route to a Carbon Dioxide Neutral World
The Chemical Route to a Carbon Dioxide Neutral World Open
Excessive CO 2 emissions in the atmosphere from anthropogenic activity can be divided into point sources and diffuse sources. The capture of CO 2 from flue gases of large industrial installations and its conversion into fuels and chemicals…