Importance of Vanadium-Catalyzed Oxidation of SO<sub>2</sub> to SO<sub>3</sub> in Two-Stroke Marine Diesel Engines

Colom, Juan Manuel; Alzueta, María U.; Christensen, Jakob Munkholt; Glarborg, Peter; Cordtz, Rasmus Faurskov; Schramm, Jesper

doi:10.1021/acs.energyfuels.6b00638

Cited by 13 publications

(8 citation statements)

References 17 publications

(50 reference statements)

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“…Several researchers have tried to uncover the mechanism of SO 2 oxidation over vanadia-based catalysts ,− because vanadia-based catalysts have been the dominant materials in industrial processes for sulfuric acid production. Lapina et al have reviewed the mechanisms of SO 2 oxidation over sulfuric acid production catalysts, which contain a high amount of V 2 O 5 and M 2 S 2 O 7 (M = Na, K, Cs).…”

Section: Introductionmentioning

confidence: 99%

Oxidation of Sulfur Dioxide over V₂O₅/TiO₂ Catalyst with Low Vanadium Loading: A Theoretical Study

Xue

Wang

et al. 2018

J. Phys. Chem. C

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Oxidation of SO2 to SO3 is one of the major drawbacks of the commonly used vanadia-based selective catalytic reduction catalyst. Density functional theory calculations were applied to study the interaction between SO2 and the VO x /TiO2 catalyst. Two parallel calculations, one is cluster models implementing the hybrid method and the other is periodical surface model implementing the Perdew–Burke–Ernzerhof method, were made to compare them with each other. The results show that the uncovered TiO2 surface can be easily sulfated by SO2, whereas it can barely oxidize SO2 to SO3. Supported vanadia site, either vanadia monomer or vanadia dimer, is not a favorable site for SO2 adsorption. However, SO2 can be oxidized by vanadia sites through a sulfation route in which a −V(SO4)– configuration is formed. The terminal oxygen of VO is found to bond with SO2 to produce SO3. The Brønsted acid site can enhance SO2 adsorption, whereas it will be eliminated after interacting with SO2 because the hydrogen ion of Brønsted acid will be deprived by SO2.

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Section: Introductionmentioning

confidence: 99%

Oxidation of Sulfur Dioxide over V₂O₅/TiO₂ Catalyst with Low Vanadium Loading: A Theoretical Study

Xue

Wang

et al. 2018

J. Phys. Chem. C

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“…Only an experiment for a λ total < 1, set 9, was also done for the pressure of 20 bar, due to the potential deposition of sulfur species in the high-pressure experimental set-up under reducing conditions. The moderate concentration of oxygen used in this work was chosen to minimize SO 3 formation, which is enhanced at oxidizing conditions and high pressures and could lead to corrosion problems [38,39]. Stoichiometric and more oxidizing conditions were used under near atmospheric pressures (0.65 bar manometric pressure).…”

Section: Experimental Methodologymentioning

confidence: 99%

Study of the conversion of CH4/H2S mixtures at different pressures

Colom-Díaz

Leciñena

Peláez

et al. 2020

Fuel

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Due to the different scenarios where sour gas is present, its composition can be different and, therefore, it can be exploited through different processes, being combustion one of them. In this context, this work deals with the oxidation of CH 4 and H 2 S at different pressures and under a wide variety of conditions. The oxidation has been evaluated experimentally in two different flow reactor setups , one working at atmospheric pressure and another one operating from atmospheric to high pressures (40 bar). Different CH 4 /H 2 S mixtures have been tested, together with different oxygen concentrations and in the temperature range of 500-1400 K. The experimental results obtained show that the oxidation of the CH 4 /H 2 S mixtures is shifted to lower temperatures as pressure increases, obtaining the same trends at atmospheric pressure in both experimental setups. H 2 S oxidation occurs prior to CH 4 oxidation at all conditions, providing radicals to the system that promote CH 4 oxidation to lower temperatures (compared to neat CH 4 oxidation). This effect is more relevant as pressure increases. H 2 S oxidation is inhibited by CH 4 at atmospheric pressure, being more noticeable when the CH 4 /H 2 S ratio is higher. At higher pressures, the H 2 S conversion occurs similarly in the absence or presence of CH 4. The experimental results have been modeled with an updated kinetic model from previous works from the literature, which, in general, matches well the experimental trends, while some discrepancies between experimental and modeling results at atmospheric pressure and 40 bar are found in the conversion of H 2 S and CH 4 .

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“…Alvarez and Blanco [31] Benzinger et al [36] 2016 60 Pt Titania 573-848 3-6 0-66 Colom et al [37] 2016 53 Na, V Silicate 523-1073 0.1 0-80 Corro et al [38] 2001 197 Pt, Sn Alumina 493-973 0.0035 0-90 Dobkina et al [39] Doering et al [19] 1988 133 Cs, V Silicate 635-677 8-14 94-100…”

Section: Referencementioning

confidence: 99%

Catalyst design using artificial intelligence: SO₂ to SO₃ case study

2020

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Catalyst design is key to the improvement of chemical process efficiency. The required work for the development of new catalysts can be supported through the proper application of artificial intelligence to identify optimal compositions. A generic methodology for the application of machine learning to catalysis research is therefore outlined in this work. The catalytic oxidation of SO2 was used to exemplify the first iteration of this methodology. 1784 data points from 31 published papers were compiled into a databank. The inlet SO2 concentration ranged from 0 to 66 mol%. An artificial neural network (ANN) was trained on the databank in order to predict SO2 conversion based on the catalyst composition and the reactor operating conditions (temperature, pressure, catalyst mass: volumetric flowrate ratio (w/v), and feed composition). The model achieved a root‐mean‐square error of 6.6%. A preliminary screening step identified 3:1 V‐Mg/SiO2 catalysts as exhibiting high conversion at 648 K. A multi‐objective optimization was then performed on a single catalyst to identify solutions exhibiting high conversion and high productivity at 648 K while minimizing the catalyst cost. The optimal solution was predicted to be a 2.9 wt% V/0.2 wt% Mg/SiO2 catalyst operating at a w/v of 7.49 kg‐cat · s/m3 STP, achieving 100% SO2 conversion with a material cost among the bottom third of cost values. Artificial intelligence can then be employed to extract useful knowledge from published catalytic data and orient future search for novel catalyst development.

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Importance of Vanadium-Catalyzed Oxidation of SO₂ to SO₃ in Two-Stroke Marine Diesel Engines

Cited by 13 publications

References 17 publications

Oxidation of Sulfur Dioxide over V₂O₅/TiO₂ Catalyst with Low Vanadium Loading: A Theoretical Study

Oxidation of Sulfur Dioxide over V₂O₅/TiO₂ Catalyst with Low Vanadium Loading: A Theoretical Study

Study of the conversion of CH4/H2S mixtures at different pressures

Catalyst design using artificial intelligence: SO₂ to SO₃ case study

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Importance of Vanadium-Catalyzed Oxidation of SO2 to SO3 in Two-Stroke Marine Diesel Engines

Cited by 13 publications

References 17 publications

Oxidation of Sulfur Dioxide over V2O5/TiO2 Catalyst with Low Vanadium Loading: A Theoretical Study

Oxidation of Sulfur Dioxide over V2O5/TiO2 Catalyst with Low Vanadium Loading: A Theoretical Study

Study of the conversion of CH4/H2S mixtures at different pressures

Catalyst design using artificial intelligence: SO2 to SO3 case study

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Product

Resources

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Importance of Vanadium-Catalyzed Oxidation of SO₂ to SO₃ in Two-Stroke Marine Diesel Engines

Oxidation of Sulfur Dioxide over V₂O₅/TiO₂ Catalyst with Low Vanadium Loading: A Theoretical Study

Oxidation of Sulfur Dioxide over V₂O₅/TiO₂ Catalyst with Low Vanadium Loading: A Theoretical Study

Catalyst design using artificial intelligence: SO₂ to SO₃ case study