Aline Bornet’s Post

Manuscript just available at the Researchgate: The activation of methane (CH4 ) is a critical step in its conversion to high value products, which require the use of catalysts due to the higher stability of the C – H bond. In this study, we combined density functional theory calculations and the unit bond index-quadratic exponential potential approximation to investigate the first CH4 dehydrogenation in the TM/(CeO2 )10 system, where TM represents a single transition-metal specie (Fe, Co, Ni, Cu) supported in the compact (CeO2)10 cluster. In addition, substrate size effects will be addressed by comparing our results with previous surface science studies by our group. Further details and discussion can be found from the link below.

Poly(oxymethylene) dimethyl ethers (OME) are promising synthetic diesel fuels that reduce soot formation and can be produced sustainably from a broad raw material basis 🌱 In the last and most significant paper of my PhD, we present the first practical demonstration of a water-tolerant process for producing OME with closing recycle. Using methanol and aqueous formaldehyde in a mini-plant consisting of a reactor, a distillation column and a membrane unit, we showed the feasibility of each unit and the overall process, bringing the industrial-scale OME production an important step closer to reality 🏭 Thanks to my coauthors for their contributions and to the Technical University of Munich for supporting open access of the publication! 🔓🌐📚

Only four weeks until GHGT-17! This week I wanted to share another of our recent publications. This work was performed by my recently graduated PhD student, Dr. Thomas Jorgensen. We examined using NMR techniques the question; Is amine solvent degradation really bad? The answer in terms of amine thermal degradation is maybe not. This work showed that the common amine thermal degradation compounds, such as OZD and HEEDA for MEA, can still participate in reactions with CO2 directly or can readily accept a proton, allowing the main amine component of the solvent to keep working. https://lnkd.in/eD87bZn7

You can read more about the exciting experiments we've been doing to try to unravel the photochemistry of disulfide bonds in our new paper https://lnkd.in/e73vcVqd And in the blog post below!

Another ACS paper of mine with first authorship! Check it out folks!!! This paper highlights my third year graduate school work in one of the projects. I must thank my PI Prof. Eric Bloch for leading me to do quality chemistry always and Dr. Nobuyuki Yamamoto for helping with Single Crystal structure refinement. Paper elaborates interesting small molecular adsorption trends of Rh, Ru and Mo paddle wheel type structures which are poorly explored in chemistry.

We are thrilled to announce our latest publication for October 2024: "Improving Redox Reactions of Spiro-OMeTAD via P-Type Molecular Scaffold to Reduce Energy Loss at Ag-electrode in Perovskite Solar Cells" which has been published in: Journal of Energy Chemistry (Elsevier). Q1 - WoS Journal - SCIE - Impact Factor, 14.0 (2023). In this study, we introduced a crystalline additive (CA) to regulate the redox process of Spiro and its interface with an Ag electrode. Our findings indicate that CA functions as a molecular scaffold, improving the crystallinity and stability of radicals in Spiro throughout the entire redox reaction. This enhancement increases the hole mobility of Spiro and strengthens the internal electric field, thereby improving hole extraction and transport efficiency at both interfaces. Moreover, the optimized redox reaction of Spiro reduces energy loss at the Ag electrode, significantly boosting the power conversion efficiency to 25.21%. 👉 Check out the link for article: https://lnkd.in/gF-gvCqD

It's my New research article. If any of you related to this field #Nonlineardifferentialequation #Electrochemistry #Analyticalmethods go ahead into this paper. ✌

https://lnkd.in/ebHANggd   Article title: General properties of the balance 2∙f(O) – f(H) in electrolytic systems some detailed remarks on elemental versus core balances Author(s): Anna M Michałowska-Kaczmarczyk and Tadeusz Michałowsk   Journal: Open Journal of Analytical and Bioanalytical Chemistry   Journal ISSN: 2689-7628   Abstract: Any electrolytic system in aqueous media is described with use of charge balance, f0 = ChB, and K elemental or core balances, fk = f(Yk) (k = 1,…,K). The balances: f1 = f(H) and f2 = f(O) are the basis to formulate the linear combination f12 = 2∙f2 – f1 = 2∙f(O) – f(H).   #Electrolyticredoxsystems #GATESGEB #ApproachItoGEB #ApproachIItoGEB #Potentiometrictitration #Chemistry #OrganicChemistry #InorganicChemistry #PhysicalChemistry #AnalyticalChemistry #Biochemistry #TheoreticalChemistry #EnvironmentalChemistry #ChemicalEngineering #PolymerChemistry #MedicinalChemistry #IndustrialChemistry #GreenChemistry #ChemicalSynthesis #ChemicalKinetics #Spectroscopy #Electrochemistry #Nanochemistry #SurfaceChemistry #QuantumChemistry #ChemicalBonding #Thermodynamics #ChemicalCatalysis #SupramolecularChemistry #MaterialsChemistry

Why is liquid oxygen attracted to magnets? Chemical structure has something to do with it. Discover the world at the molecular level with "General Chemistry I: Atoms, Molecules, and Bonding" from the MIT Department of Chemistry. Starts May 16! Learn more and enroll at https://bit.ly/3UI1B01 #Chemistry #OnlineCourses #OnlineLearning

I am thrilled to announce the publication of our latest paper titled, "A Triple-Layer Based Surface Complexation Model for the Oil-Brine Interface in Low-Salinity Waterflooding: The Effect of Sulfate Interaction with Carboxylic and Basic Groups, pH, and Temperature," in the Molecular Liquids journal. This work introduces a complex triple-layer surface complexation model that explains the intricate interactions between sulfate ions and the acidic and basic functional groups at the oil-water interface during low-salinity waterflooding. We thoroughly investigated the influence of temperature, sulfate concentration, and surface site densities on these interactions, providing valuable insights into the underlying mechanisms. I express my gratitude to Prof. Hassan Mahani for proposing the idea and for his mentorship and guidance throughout this research journey. I want to extend my gratitude to my colleague, Ala Hosseini, for her diligent work and contributions to this study. 🔗 You can access the full paper here: https://lnkd.in/dzegb6Nx For more updates and insights into our research, feel free to visit my Google Scholar profile: https://lnkd.in/dD4SteUt #Reservoir_Engineering #Surface_Complexation_Modeling #SCM #Energy #Petroleum_Engineering #Low_Salinity #PHREEQC #EOR #Simulation #Geochemical_Modeling