Article
Chemistry, Analytical
Esther S. Breuninger, Julie Tolu, Sylvain Bouchet, Lenny H. E. Winkel
Summary: Although oceans play a crucial role in the global selenium cycle, there is limited quantitative information available on selenium concentrations and speciation in marine environments. This study developed a sensitive method using species-specific isotope dilution gas chromatography coupled to inductively coupled plasma mass spectrometry (ID-GC-ICPMS) to determine the different selenium chemical fractions in seawater, allowing for the measurement of selenium concentrations in brackish and marine systems.
ANALYTICA CHIMICA ACTA
(2023)
Article
Energy & Fuels
Polina Mikhaylova, Luis P. de Oliveira, Isabelle Merdrignac, Alexandra Berlioz-Barbier, Marouan Nemri, Pierre Giusti, Gerhard D. Pirngruber
Summary: This study aims to understand the molecular level differences in vacuum gas oil hydrotreatment process and characterize basic and neutral nitrogen-containing species in VGO and HDT effluents using FTICR-MS, exploring the subtleties of HDT transformations depending on the feedstock type.
Article
Engineering, Chemical
Dicho Stratiev, Ivelina Shishkova, Mihail Ivanov, Rosen Dinkov, Borislav Georgiev, Georgi Argirov, Vassia Atanassova, Petar Vassilev, Krassimir Atanassov, Dobromir Yordanov, Aleksey Popov, Alessia Padovani, Ulrike Hartmann, Svetoslav Nenov
Summary: The study found that secondary heavy oils follow second-order reaction kinetics on a commercial FCC catalyst. The FCC conversion strongly correlates with the gas oil Kw characterization factor, while product yields depend on the secondary gas oil carbon atoms number, aromatic ring index, paraffinic and aromatic carbon content, and the total aromatics content.
CHEMICAL ENGINEERING & TECHNOLOGY
(2021)
Article
Engineering, Chemical
Na Wang, Chong Peng, Zhenmin Cheng, Zhiming Zhou
Summary: VGO, the key feedstock for hydrocracking processes in refineries, has a complex molecular composition that can be accurately reconstructed using the modified SR-REM algorithm. Validation of the method shows accurate simulated properties, providing important insights for process optimization in refineries.
CHINESE JOURNAL OF CHEMICAL ENGINEERING
(2022)
Article
Multidisciplinary Sciences
Nattawut Khuenkaeo, Sanphawat Phromphithak, Thossaporn Onsree, Salman Raza Naqvi, Nakorn Tippayawong
Summary: The use of ablative pyrolysis under vacuum to convert tobacco residues into bio-oils has shown promising results, producing high-quality oils mainly composed of alkanes, benzene derivatives, and nitrogen-containing compounds. This process can effectively convert pyrolysis products into liquid fuels with high carbon, hydrogen, and calorific value.
Article
Chemistry, Physical
Chongyun Ding, Zhen Sun, Lianzheng Zhang
Summary: In this study, novel acidic ionic liquids were utilized as extractants to eliminate nitrogen compounds from fuel oils. The efficiency of the extractants and the interaction between the ionic liquids and nitrogen compounds were analyzed. The results showed that the acidic ionic liquids with functional groups had higher extraction efficiency and demonstrated successful development for removing nitrogen compounds from fuel oils.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Materials Science, Multidisciplinary
Artem Yakunchikov
Summary: This study examined the problem of unsteady outflow of a mixture of gases into a vacuum, which is periodically interrupted by the movement of objects towards the jet. The study investigated this problem as a potential gas separation technique. The unsteady flow of the gas mixture was simulated using the event-driven molecular dynamics approach, considering moving boundaries, a wide range of Knudsen numbers, a wide range of Mach numbers, and the violation of equilibrium between rotational and translational degrees of freedom. The problem of periodically interrupted flow was solved taking into account the finite gap between the stator and the moving runner blades. The study obtained the dependencies of the molar fraction and flow rate of the resulting mixture on the system parameters, and provided practical recommendations for the design of such systems.
Article
Chemistry, Analytical
Deborah V. A. de Aguiar, Gesiane da S. Lima, Jussara Roque, Joao V. A. Oliveira, Iris Medeiros Junior, Alexandre de O. Gomes, Luiz A. N. Mendes, Boniek G. Vaz
Summary: This study provides a direct flow injection electrospray ionization (ESI) (-) Orbitrap mass spectrometry method for the quantitative analysis of non-basic nitrogen-containing compounds (NCCs) in petroleum-derived samples, without the need for fractionation steps. The method was validated by quantifying benzocarbazole (BC) using the standard addition method, and demonstrated satisfactory results in the matrix-mix.
ANALYTICAL CHEMISTRY
(2023)
Article
Energy & Fuels
K. A. Alekseev, S. M. Kirichenko, A. Rakov, R. A. Gaifutdinov, M. Farakhov, A. G. Laptev, A. N. Volkov, I. E. Sennikov, N. Ledneva, A. A. Shchepalov
Summary: This article describes the design and implementation of a unit for separating heavy vacuum gas oil, providing technical solutions and the results of its operation. Experimental studies were conducted using a laboratory model of the distillation column, and a mathematical model of multicomponent distillation was utilized for calculations. The main and auxiliary equipment for the vacuum distillation unit was also selected.
CHEMISTRY AND TECHNOLOGY OF FUELS AND OILS
(2022)
Article
Engineering, Chemical
David J. McSweeney, Valentyn Maidannyk, James A. O'Mahony, Noel A. McCarthy
Summary: Powders produced with high-pressure nitrogen injection showed slower ion release during rehydration but exhibited improved powder dispersion and solubility, possibly due to higher porosity and presence of air voids.
JOURNAL OF FOOD ENGINEERING
(2021)
Article
Engineering, Chemical
Rafael O. Farrapeira, Yasmine B. Andrade, Tiago Schena, Jaderson K. . Schneider, Carin von Muhlen, Laiza C. Krause, Elina B. Carama
Summary: Improper disposal of green coconut waste leads to various problems, but it can be converted into bio-oil through pyrolysis. Fractionation of the bio-oil reduces its complexity, and analysis identified 305 different compounds. The use of separation/detection techniques improved the quality of identification.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Article
Food Science & Technology
Benjamin W. B. Holman, Alaa El-Din A. Bekhit, Michael Waller, Kristy L. Bailes, Matthew J. Kerr, David L. Hopkins
Summary: This study compared TVB-N values of beef samples with various quality and freshness indicators, finding associations with color parameters, microbial load, tenderness, and moisture, but not with IMF and vitamin E. Using a TVC recommendation of log 7 cfu/g for categorizing beef as spoiled or fresh, TVB-N showed 77.9% accuracy in classification. Further investigation with a larger sample population and wider range of TVB-N values is needed to confirm these results.
Article
Chemistry, Analytical
Mbaye Dieng, Siva Sankar, Pingping Ni, Ileana Florea, Pedro Alpuim, Andrea Capasso, Abderrahim Yassar, Fatima Zahra Bouanis
Summary: Large-scale production of solution-processable graphene nanosheets (GNSs) has opened up possibilities for their use as gas sensors. This study demonstrates the fabrication of functional gas sensors using a scalable deposition method and non-covalent functionalization of GNS films with Co-porphyrin and Fe-phthalocyanines. The chemiresistive sensor response of the functionalized GNSs towards low concentrations of nitrogen dioxide (NO2) was significantly improved compared to pristine GNSs.
Article
Engineering, Environmental
Hyunmin Oh, Hee Tae Beum, Suh-Young Lee, Jinsu Kim, Jungil Kim, Yongju Yun, Sang Sup Han
Summary: The suitable operation configurations for separating CO from BOFG were determined based on the desired product purity. The results showed that the 3-bed and 4-bed VPSA processes were cost-effective for enriching CO from BOFG, depending on the target purity of the CO product.
CHEMICAL ENGINEERING JOURNAL
(2023)
Review
Instruments & Instrumentation
Stefano Dell'Orco, Steven M. Rowland, Anne E. Harman-Ware, Daniel Carpenter, Thomas Foust, Earl D. Christensen, Calvin Mukarakate
Summary: Converting abundant biomass into renewable carbon-rich oils shows promise for reducing greenhouse gas emissions, but further upgrading is needed due to the abundance of oxygenated compounds in bio-oils. Advanced analytical techniques are being developed to identify elusive species in bio-oils and improve downstream processes for biofuels production.
APPLIED SPECTROSCOPY REVIEWS
(2022)
Article
Energy & Fuels
D. Espinat, F. Gaulier, F. Norrant, J. Barbier, B. Guichard, M. Rivallan, P. Levitz
Article
Chemistry, Physical
Z. Buniazet, J. Couble, D. Bianchi, M. Rivallan, A. Cabiac, S. Maury, S. Loridant
JOURNAL OF CATALYSIS
(2017)
Article
Chemistry, Physical
A. Davantes, C. Schlaup, X. Carrier, M. Rivallan, G. Lefevre
JOURNAL OF PHYSICAL CHEMISTRY C
(2017)
Article
Chemistry, Physical
Fabien Caron, Mickael Rivallan, Severine Humbert, Antoine Daudin, Silvia Bordiga, Pascal Raybaud
JOURNAL OF CATALYSIS
(2018)
Article
Chemistry, Physical
Svetan Kolitcheff, Elsa Jolimaitre, Antoine Hugon, Jan Verstraete, Mickael Rivallan, Pierre-Louis Carrette, Francoise Couenne, Melaz Tayakout-Fayolle
CATALYSIS SCIENCE & TECHNOLOGY
(2018)
Article
Chemistry, Physical
Ana T. F. Batista, Dorothea Wisser, Thomas Pigeon, David Gajan, Fabrice Diehl, Mickael Rivallan, Leonor Catita, Anne-Sophie Gay, Anne Lesage, Celine Chizallet, Pascal Raybaud
JOURNAL OF CATALYSIS
(2019)
Article
Chemistry, Physical
Laureline Treps, Coralie Demaret, Dorothea Wisser, Bogdan Harbuzaru, Alain Methivier, Emmanuelle Guillon, Denys Viktorovych Benedis, Axel Gomez, Theodorus de Bruin, Mickael Rivallan, Leonor Catita, Anne Lesage, Celine Chizallet
Summary: This study investigates the nature and spectroscopic expression of external surface sites of zeolites, particularly ZSM-5, using advanced techniques including FTIR with FSD, high magnetic field proton NMR under MAS, and periodic boundary DFT calculations. Various hydroxyl groups are analyzed in detail, with distinct signals observed in FTIR and NMR spectra. Different contributions of bridging Si-(OH)-Al groups and Al-(H2O) are identified in one-dimensional H-1 MAS NMR versus FTIR spectra. Furthermore, extra-framework species exposed at the external surface of ZSM-5 are characterized by specific signals in both FTIR and NMR, providing valuable insights into the surface properties.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Physical
Teddy Roy, Dorothea Wisser, Mickael Rivallan, Manuel Corral Valero, Thibaut Corre, Olivier Delpoux, Gerhard D. Pirngruber, Gregory Lefevre
Summary: An innovative approach utilizing solid/liquid interface characterization and FTIR has been used to build a phosphate complexation model on alumina surface. The study identified two mechanisms of adsorption: specific surface complex adsorption and surface precipitation process. Above the threshold of 1.2 at/nm(2), surface precipitation of an amorphous AlPO4 phase was observed.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Physical
Adrian Huhn, Dorothea Wisser, Manuel Corral Valero, Teddy Roy, Mickael Rivallan, Leonor Catita, Anne Lesage, Carine Michel, Pascal Raybaud
Summary: By combining DNP SENS techniques and DFT calculations, an accurate molecular description of phosphate speciation on gamma-Al2O3 surfaces for various P surface coverages has been provided, revealing the presence of polyphosphates and Al-O-P connectivities, as well as suggesting preferential covalent bonding modes with high-dentation on the (1 1 0) gamma-Al2O3 facet.
Article
Chemistry, Physical
Elsy El Hayek, Sambhu Radhakrishnan, Gina Vanbutsele, Sreeprasanth Pulinthanathu Sree, Mickael Rivallan, Emmanuel Soyer, Christophe Bouchy, Eric Breynaert, Johan Martens, Celine Chizallet, Bogdan Harbuzaru
Summary: This study successfully transformed the unstable silicogermanate into a stable aluminosilicogermanate using post-synthetic isomorphic substitution. The resulting material showed promising performance in the catalytic transformation of bulky molecules, suggesting potential applications for stable derivatives of silicogermanate zeolites.
JOURNAL OF CATALYSIS
(2022)
Article
Chemistry, Physical
Koen Kennes, Alexey Kubarev, Coralie Demaret, Laureline Treps, Olivier Delpoux, Mickael Rivallan, Emmanuelle Guillon, Alain Methivier, Theodorus de Bruin, Axel Gomez, Bogdan Harbuzaru, Maarten B. J. Roeffaers, Celine Chizallet
Summary: Shaping has a significant impact on the acidity and catalytic properties of acid zeolite catalysts. The choice and use of binders can greatly affect the performance of the catalyst, with migration of cations and pore blockage being the most detrimental effects.
Article
Chemistry, Physical
Joudy Dankar, Celine Pagis, Mickael Rivallan, Mohamad El-Roz
Summary: The photoreduction of CO2 in the vapor phase influenced by catalytic pathways of Benchmark TiO2 and Pt/TiO2 photocatalysts was investigated through operando FTIR spectroscopy. The presence of carboxylates as carbonaceous surface impurities was identified, and their involvement in surface reactions was demonstrated.
SUSTAINABLE ENERGY & FUELS
(2023)
Article
Chemistry, Multidisciplinary
Quentin Rivet, Jordan Meyet, Mickael Rivallan, Thibaud Nardin, David Farrusseng
Summary: The characterization of acid sites on solid catalysts is important for understanding reaction mechanisms. In this study, 2,6-di-tert-butylpyridine is found to be a suitable probe for characterizing weak Bronsted acidity. The results show that the area of a specific vibration band is correlated to the concentration of a specific element in the catalyst. The study also highlights the limitations of using pyridine as an IR probe molecule and NH3 TPD for acid site characterization.
NEW JOURNAL OF CHEMISTRY
(2022)
Article
Chemistry, Applied
Laurent Lemaitre, Adrien Berliet, Sylvie Maury, Mickael Rivallan