Unraveling the differences of the reactivity of 3-methylthiophene and benzothiophene over bulk NiMoS catalysts using an experimental and kinetic modeling study

One‐pot Synthesis of Bulk NiMoS Catalysts: Influence of pH and Addition of Pluronic®P123. Hydrodesulfurization of Model Sulfur Molecules Representative of FCC Gasoline

“…Another interesting result is the similar reactivity of BT and 3MT over these catalysts, which differs from the usual observation of a higher reactivity of BT compared to 3MT over classical supported catalysts such as Ni(Co)Mo/Al 2 O 3 [41] . It could be due to different adsorption modes and adsorption forces of the molecules over these catalysts compared to classical ones [22] . It could be used advantageously for optimizing gasoline HDS processes and countering the important inhibiting effect of benzothiophenic compounds in the transformation of alkylthiophenic compounds.…”

“…The catalyst was first sulfided in situ under H 2 S/H 2 flow (10 mol % H 2 S) for 10 h at 400 °C at atmospheric pressure. These operating conditions correspond to those of the industrial process [22,41] …”

“…The reaction products were injected on‐line by means of an automatic sampling valve into a Varian gas chromatograph equipped with a PONA capillary column and a flame ionization detector as in previous works [22,41] …”

“…where F is the molar flow of the reactant in mmol/h, m cat is the mass of catalyst in g and X i is the reactant conversion (i=3MT and BT).The activity per active molybdenum atom (those located in the edges and corners of the slabs) is defined as followed: a Mo =a×M Mo /(m Mo ×D×6.023×10 23 ) with a: activity in mmol/h/g, M Mo : molar mass of molybdenum, m Mo : mass of molybdenum in wt % determined by ICP, D: dispersion determined from TEM experiments, where $${{\rm{D}} = {\rm{\;}}{{{\rm{Mo\;edges}} + {\rm{corner}}} \over {{\rm{Mo\;total}}}} = {{\mathop \sum \nolimits_{\rm{i}} 6{\rm{n}}_{\rm{i}} - 6} \over {\mathop \sum \nolimits_{\rm{i}} 3{\rm{n}}_{\rm{i}}^2 - 3{\rm{n}}_{\rm{i}} + 1}}}$$ with n i : number of Mo atoms along one side of a MoS 2 slab determined from its length and i being the total number of slabs [22,38] …”

“…In this work, a novel one‐pot synthesis method of unsupported NiMoS catalysts, carried out in water at ambient pressure and moderate temperature, is explored [22] . The reaction conditions including pH variations and addition of Pluronic® P123, as structuring agent, were investigated.…”