Biofuel purification: Coupling experimental and theoretical investigations for efficient separation of phenol from aromatics by zeolites

Structure and Quantification of Edge Sites of WS 2 /Al 2 O 3 Catalysts Coupling IR/CO Spectroscopy and DFT Calculations

(2020) Luz Zavala‐Sanchez et al.   ChemCatChem

Adsorptive removal of toluene and dichloromethane from humid exhaust on MFI, BEA and FAU zeolites: An experimental and theoretical study

(2020) Hua Deng et al.   CHEMICAL ENGINEERING JOURNAL

A first principle evaluation of the adsorption mechanism and stability of volatile organic compounds into NaY zeolite

(2019) Etienne P. Hessou et al.   Zeitschrift fur Kristallographie-Crystalline Materials

Adsorption of volatile organic and iodine compounds over silver-exchanged mordenites: A comparative periodic DFT study for several silver loadings

(2019) H. Jabraoui et al.   APPLIED SURFACE SCIENCE

Noble Metal Supported on Activated Carbon for “Hydrogen Free” HDO Reactions: Exploring Economically Advantageous Routes for Biomass Valorisation

(2019) Wei Jin et al.   ChemCatChem

Adsorption of ibuprofen on organo-sepiolite and on zeolite/sepiolite heterostructure: Synthesis, characterization and statistical physics modeling

(2019) Zichao Li et al.   CHEMICAL ENGINEERING JOURNAL

Adsorptive removal of phenol using faujasite-type Y zeolite: Adsorption isotherms, kinetics and grand canonical Monte Carlo simulation studies

(2019) Bouchra Ba Mohammed et al.   JOURNAL OF MOLECULAR LIQUIDS

A mini review of the specialties of the bio-oils produced from pyrolysis of 20 different biomasses

(2019) Mortaza Gholizadeh et al.   RENEWABLE & SUSTAINABLE ENERGY REVIEWS

Copper hexacyanoferrate nanocrystal as a highly efficient non-noble metal catalyst for reduction of 4-nitrophenol in water

(2019) Thomas Wi-Afedzi et al.   SCIENCE OF THE TOTAL ENVIRONMENT

In Situ IR‐ATR Study of the Interaction of Nitrogen Heteroaromatic Compounds with HY Zeolites: Experimental and Theoretical Approaches

(2019) Ibrahim Khalil et al.   ChemCatChem

Structural engineering of Zr-based metal-organic framework catalysts for optimized biofuel additives production

(2019) Asmaa Jrad et al.   CHEMICAL ENGINEERING JOURNAL

Metal-Free Visible-Light-Mediated Aromatization of 1,2-Dihydronaphthalenes

(2019) Fatima Rammal et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

Selective elimination of phenol from hydrocarbons by zeolites and silica-based adsorbents—Impact of the textural and acidic properties

(2019) Ibrahim Khalil et al.   JOURNAL OF HAZARDOUS MATERIALS

Mechanistic insights into upgrading of biomass-derived phenolic compounds: Comparative study of the impact of Lewis acidity in Zn loaded FAU zeolite on reaction mechanism

(2018) Gul Afreen et al.   CHEMICAL ENGINEERING JOURNAL

Accelerated Construction of High-Silica RHO and CHA Zeolites via Interzeolite Transformation and Their NH3–SCR Performances after Copper Exchange

(2018) Quanli Ke et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Biofuels journey in Europe: Currently the way to low carbon economy sustainability is still a challenge

(2018) Sophia Darda et al.   JOURNAL OF CLEANER PRODUCTION

Selective Capture of Phenol from Biofuel Using Protonated Faujasite Zeolites with Different Si/Al Ratios

(2018) Ibrahim Khalil et al.   Journal of Physical Chemistry C

Adsorption of NO, NO2, CO, H2O and CO2 over isolated monovalent cations in faujasite zeolite: a periodic DFT investigation

(2018) E. P. Hessou et al.   THEORETICAL CHEMISTRY ACCOUNTS

Whole conversion of microalgal biomass into biofuels through successive high-throughput fermentation

(2018) Marwa M. El-Dalatony et al.   CHEMICAL ENGINEERING JOURNAL

Economical synthesis strategy of RHO zeolites with fine-tuned composition and porosity for enhanced trace CO2 capture

(2018) Quanli Ke et al.   CHEMICAL ENGINEERING JOURNAL

Fast pyrolysis oil from pinewood chips co-processing with vacuum gas oil in an FCC unit for second generation fuel production

(2017) Andrea de Rezende Pinho et al.   FUEL

Evaluation of volatile iodine trapping in presence of contaminants: A periodic DFT study on cation exchanged-faujasite

(2017) Mouheb Chebbi et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Ethylene glycol production from glucose over W-Ru catalysts: Maximizing yield by kinetic modeling and simulation

(2016) Guanhong Zhao et al.   AICHE JOURNAL

A DFT investigation of the adsorption of iodine compounds and water in H-, Na-, Ag-, and Cu- mordenite

(2016) Siwar Chibani et al.   JOURNAL OF CHEMICAL PHYSICS

A Fractionally Ionic Approach to Polarizability and van der Waals Many-Body Dispersion Calculations

(2016) Tim Gould et al.   Journal of Chemical Theory and Computation

Impact of the Si/Al ratio on the selective capture of iodine compounds in silver-mordenite: a periodic DFT study

(2016) Siwar Chibani et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Isolation of Renewable Phenolics by Adsorption on Ultrastable Hydrophobic MIL-140 Metal-Organic Frameworks

(2015) Ben Van de Voorde et al.   ChemSusChem

Fuel characterisation, engine performance, combustion and exhaust emissions with a new renewable Licella biofuel

(2015) Md Nurun Nabi et al.   ENERGY CONVERSION AND MANAGEMENT

Co-processing raw bio-oil and gasoil in an FCC Unit

(2015) Andrea de Rezende Pinho et al.   FUEL PROCESSING TECHNOLOGY

Upgrading of bio-oils over equilibrium FCC catalysts. Contribution from alcohols, phenols and aromatic ethers

(2013) Melisa Bertero et al.   CATALYSIS TODAY

Synergetic Sustainability Enhancement via Current Biofuel Infrastructure: Waste-to-Energy Concept for Biodiesel Production

(2013) Eilhann Kwon et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Improved Density Dependent Correction for the Description of London Dispersion Forces

(2013) Tomáš Bučko et al.   Journal of Chemical Theory and Computation

Bio-oil hydrodeoxygenation: Adsorption of phenolic compounds on sulfided (Co)Mo catalysts

(2012) Andrey Popov et al.   JOURNAL OF CATALYSIS

Van der Waals interactions between hydrocarbon molecules and zeolites: Periodic calculations at different levels of theory, from density functional theory to the random phase approximation and Møller-Plesset perturbation theory

(2012) Florian Göltl et al.   JOURNAL OF CHEMICAL PHYSICS

Copper sites in zeolites - quantitative IR studies

(2012) K. Góra-Marek et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Accurate and Efficient Method for Many-Body van der Waals Interactions

(2012) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS

Adsorption characteristics of natural zeolites as solid adsorbents for phenol removal from aqueous solutions: Kinetics, mechanism, and thermodynamics studies

(2011) Rushdi I. Yousef et al.   CHEMICAL ENGINEERING JOURNAL

Kinetic and thermodynamic study of 1-naphthol adsorption from aqueous solution to sulfonated graphene nanosheets

(2011) Guixia Zhao et al.   CHEMICAL ENGINEERING JOURNAL

Analytical techniques tailored for biomass transformation to biofuels

(2011) Gabriella Fogassy et al.   Environmental Progress & Sustainable Energy

n-Heptane cracking over mixtures of HY and HZSM-5 zeolites: Influence of the presence of phenol

(2011) I. Graça et al.   FUEL

Fuels from bio-oils: Bio-oil production from different residual sources, characterization and thermal conditioning

(2011) Melisa Bertero et al.   FUEL

Catalytic upgrading of bio-oil using 1-octene and 1-butanol over sulfonic acid resin catalysts

(2011) Zhijun Zhang et al.   GREEN CHEMISTRY

Adsorptive Removal of Aromatic Compounds Present in Wastewater by Using Dealuminated Faujasite Zeolite

(2011) Bachar Koubaissy et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Production of advanced biofuels: Co-processing of upgraded pyrolysis oil in standard refinery units

(2010) F. de Miguel Mercader et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Catalytic routes for the conversion of biomass into liquid hydrocarbon transportation fuels

(2010) Juan Carlos Serrano-Ruiz et al.   Energy & Environmental Science

Bio-oils and FCC feedstocks co-processing: Impact of phenolic molecules on FCC hydrocarbons transformation over MFI

(2010) I. Graça et al.   FUEL

Separating Saturated Alkylaromatics from Their Unsaturated Analogues Using Metal−Organic Frameworks

(2010) Michael Maes et al.   Journal of Physical Chemistry C

Comparison of purification methods for biodiesel

(2008) M. Berrios et al.   CHEMICAL ENGINEERING JOURNAL

Computational Study of Brønsted Acidity of Faujasite. Effect of the Al Content on the Infrared OH Stretching Frequencies

(2008) German Sastre et al.   Journal of Physical Chemistry C

Extraframework cation distributions in X and Y faujasite zeolites: A review

(2008) T. Frising et al.   MICROPOROUS AND MESOPOROUS MATERIALS