Dion Vlachos

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Catalytic Deconstruction of Ethylene Vinyl Acetate Copolymer and Polyethylene Mixtures via Hydroconversion: Challenges and Solutions

Article • ACS Sustainable Chemistry & Engineering, May 2024, American Chemical Society (ACS)

Dion Vlachos
Biphasic Plasma Microreactor for Oxyfunctionalization of Liquid Hydrocarbons

Article • Industrial & Engineering Chemistry Research, May 2024, American Chemical Society (ACS)

Dion Vlachos
Hydrogenolysis of Poly(Ethylene‐co‐Vinyl Alcohol) and Related Polymer Blends over Ruthenium Heterogeneous Catalysts

Article • ChemSusChem, May 2024, Wiley

Dion Vlachos
Effect of Dynamic and Preferential Decoration of Pt Catalyst Surfaces by WOx on Hydrodeoxygenation Reactions

Article • Journal of the American Chemical Society, May 2024, American Chemical Society (ACS)

Dion Vlachos
Unlocking naphtha from polyolefins using Ni-based hydrocracking catalysts

Article • Chemical Engineering Journal, May 2024, Elsevier

Dion Vlachos
Progress and roadmap for electro-privileged transformations of bio-derived molecules

Article • Nature Catalysis, April 2024, Springer Science + Business Media

Dion Vlachos
Direct HCN synthesis via plasma-assisted conversion of methane and nitrogen

Article • Science Advances, March 2024, American Association for the Advancement of Science

Dion Vlachos
Polystyrene Hydrogenolysis to High-Quality Lubricants Using Ni/SiO2

Article • ACS Catalysis, March 2024, American Chemical Society (ACS)

Dion Vlachos
A Data and DFT-Driven Framework for Predicting the Microstructure of Submonolayer Inverse Metal Oxide on Metal Catalysts

Article • The Journal of Physical Chemistry Letters, March 2024, American Chemical Society (ACS)

Dion Vlachos
Size and Structure Effects of Carbon-Supported Ruthenium Nanoparticles on Waste Polypropylene Hydrogenolysis Activity, Selectivity, and Product Microstructure

Article • ACS Catalysis, February 2024, American Chemical Society (ACS)

Dion Vlachos
Continuous flow upgrading of lignin pyrolysis oils to drop-in bio-hydrocarbon fuels over noble metal catalysts

Article • Chemical Engineering Journal, February 2024, Elsevier

Dion Vlachos
Dynamic electrification steers the selectivity of CO2 hydrogenation

Article • Chemical Engineering Journal, February 2024, Elsevier

Dion Vlachos
Theoretical Insights into H2 Activation over Anatase TiO2 Supported Metal Adatoms

Article • ACS Catalysis, January 2024, American Chemical Society (ACS)

Dion Vlachos
LearnCK: mass conserving neural network reduction of chemistry and species of microkinetic models

Article • Reaction Chemistry & Engineering, January 2024, Royal Society of Chemistry

Dion Vlachos
Computational insights into steady-state and dynamic Joule-heated reactors

Article • Reaction Chemistry & Engineering, January 2024, Royal Society of Chemistry

Dion Vlachos
Tuning Active Site Flexibility by Defect Engineering of Graphene Ribbon Edge‐hosted Fe−N3 Sites

Article • Angewandte Chemie International Edition, December 2023, Wiley

Dion Vlachos
Tuning Active Site Flexibility by Defect Engineering of Graphene Ribbon Edge‐hosted Fe−N3 Sites

Article • Angewandte Chemie, December 2023, Wiley

Dion Vlachos
Tuning the oxidation activity of alcohols via hydrogen-bond interactions

Article • December 2023, Research Square

Dion Vlachos
Enhanced Performance of Dynamic Temperature Pulsing: Modeling Insights from Simple Reaction Networks

Article • Industrial & Engineering Chemistry Research, December 2023, American Chemical Society (ACS)

Dion Vlachos
Synthesis of Long Chain Oxygenates via Aldol Condensation of Furfural and Acetone over Metal–Organic Frameworks

Article • ACS Applied Materials & Interfaces, December 2023, American Chemical Society (ACS)

Dion Vlachos
Effect of Co/SiO2 Single-Site Heterogeneity on Small Alkane Dehydrogenation Kinetics

Article • ACS Catalysis, November 2023, American Chemical Society (ACS)

Dion Vlachos
Catalyst Cluster-Induced Support Restructuring

Article • The Journal of Physical Chemistry C, November 2023, American Chemical Society (ACS)

Dion Vlachos
Machine Learning Validation via Rational Dataset Sampling with astartes

Article • The Journal of Open Source Software, November 2023, The Open Journal

Dion Vlachos
Facet-dependent strong metal-support interactions control the C–O bond activation

Article • Chem Catalysis, November 2023, Elsevier

Dion Vlachos
Plasma-Enabled Ligand Removal for Improved Catalysis: Furfural Conversion on Pd/SiO2

Article • ACS Nano, October 2023, American Chemical Society (ACS)

Dion Vlachos
Ab Initio Molecular Dynamics Spectra for Characterization of Hydrated Al2O3 Supported MoOx

Article • The Journal of Physical Chemistry C, October 2023, American Chemical Society (ACS)

Dion Vlachos
Direct Brønsted Acid-Catalyzed Dehydration of Glucose to HMF in Methyl Isobutyl Ketone

Article • ACS Catalysis, October 2023, American Chemical Society (ACS)

Dion Vlachos
The role of the metal core in the performance of WOx inverse catalysts

Article • Chem Catalysis, October 2023, Elsevier

Dion Vlachos
Ab Initio Molecular Dynamics Study of Pt Clustering on γ-Al2O3 and Sn-Modified γ-Al2O3

Article • The Journal of Physical Chemistry C, September 2023, American Chemical Society (ACS)

Dion Vlachos
Effect of Scale-Up on Mass Transfer and Flow Patterns in Liquid–Liquid Flows Using Experiments and Computations

Article • Industrial & Engineering Chemistry Research, September 2023, American Chemical Society (ACS)

Dion Vlachos
Automated descriptor selection, volcano curve generation, and active site determination using the DescMAP software

Article • Computer Physics Communications, September 2023, Elsevier

Dion Vlachos
Green Syngas Production by Microwave-Assisted Dry Reforming of Methane on Doped Ceria Catalysts

Article • ACS Sustainable Chemistry & Engineering, August 2023, American Chemical Society (ACS)

Dion Vlachos
Unraveling Multiscale Kinetics over Subnanometer Cluster Catalysts: H2 Desorption from Pt3(-H)2/γ-Al2O3(110)

Article • ACS Catalysis, July 2023, American Chemical Society (ACS)

Dion Vlachos
CKineticsDB─An Extensible and FAIR Data Management Framework and Datahub for Multiscale Modeling in Heterogeneous Catalysis

Article • Journal of Chemical Information and Modeling, July 2023, American Chemical Society (ACS)

Dion Vlachos
Ab Initio Molecular Dynamics Study of Pd Nucleation on a γ-Al2O3 Surface

Article • The Journal of Physical Chemistry C, July 2023, American Chemical Society (ACS)

Dion Vlachos
A two-stage strategy for upcycling chlorine-contaminated plastic waste

Article • Nature Sustainability, June 2023, Springer Science + Business Media

Dion Vlachos
Tuning High-Density Polyethylene Hydrocracking through Mordenite Zeolite Crystal Engineering

Article • ACS Sustainable Chemistry & Engineering, June 2023, American Chemical Society (ACS)

Dion Vlachos
Mechanistic Understanding of Ring-Opening of Tetrahydrofurfuryl Alcohol over WOx-Modified Pt Model Surfaces and Powder Catalysts

Article • ACS Catalysis, May 2023, American Chemical Society (ACS)

Dion Vlachos
Unexpected Kinetic Solvent Effects Enhance Activity and Selectivity in Biphasic Systems

Article • ACS Catalysis, May 2023, American Chemical Society (ACS)

Dion Vlachos
Enhanced Catalytic Hydrodeoxygenation of Activated Carbon-Supported Metal Catalysts via Rapid Plasma Surface Functionalization

Article • ACS Applied Materials & Interfaces, May 2023, American Chemical Society (ACS)

Dion Vlachos
OpenMKM: An Open-Source C++ Multiscale Modeling Simulator for Homogeneous and Heterogeneous Catalytic Reactions

Article • Journal of Chemical Information and Modeling, May 2023, American Chemical Society (ACS)

Dion Vlachos
Dynamic Formation of Brønsted Acid Sites over Supported WOx/Pt on SiO2 Inverse Catalysts─Spectroscopy, Probe Chemistry, and Calculations

Article • ACS Catalysis, May 2023, American Chemical Society (ACS)

Dion Vlachos
Direct Conversion of Ethane to Oxygenates, Ethylene, and Hydrogen in a Noncatalytic Biphasic Plasma Microreactor

Article • ACS Sustainable Chemistry & Engineering, May 2023, American Chemical Society (ACS)

Dion Vlachos
Revisiting the Microkinetic Modeling of the CO Oxidation over Rh/Al2O3

Article • Industrial & Engineering Chemistry Research, April 2023, American Chemical Society (ACS)

Dion Vlachos
Insights into solvent and surface charge effects on Volmer step kinetics on Pt (111)

Article • Nature Communications, April 2023, Springer Science + Business Media

Dion Vlachos
Techno-Economic and Life Cycle Analyses of Thermochemical Upcycling Technologies of Low-Density Polyethylene Waste

Article • ACS Sustainable Chemistry & Engineering, April 2023, American Chemical Society (ACS)

Dion Vlachos
Deducing subnanometer cluster size and shape distributions of heterogeneous supported catalysts

Article • Nature Communications, April 2023, Springer Science + Business Media

Dion Vlachos
Highly Active, Ultra-Low Loading Single-Atom Iron Catalysts for Catalytic Transfer Hydrogenation

Article • March 2023, Research Square

Dion Vlachos
How Topological Differences between Two Oxide Surfaces Determine Selectivity—The Case of the Dehydra-Decyclization of Tetrahydrofuran

Article • Chemistry, March 2023, MDPI AG

Dion Vlachos
Economic and Environmental Benefits of Modular Microwave-Assisted Polyethylene Terephthalate Depolymerization

Article • ACS Sustainable Chemistry & Engineering, February 2023, American Chemical Society (ACS)

Dion Vlachos
Polyethylene Valorization by Combined Chemical Catalysis with Bioconversion by Plastic-Enriched Microbial Consortia

Article • ACS Sustainable Chemistry & Engineering, February 2023, American Chemical Society (ACS)

Dion Vlachos
Propane Dehydrogenation on PtxSny (x, y ≤ 4) Clusters on Al2O3(110)

Article • ACS Catalysis, February 2023, American Chemical Society (ACS)

Dion Vlachos
AIMSim: An accessible cheminformatics platform for similarity operations on chemicals datasets

Article • Computer Physics Communications, February 2023, Elsevier

Dion Vlachos
Selective hydrogenation via precise hydrogen bond interactions on catalytic scaffolds

Article • Nature Communications, January 2023, Springer Science + Business Media

Dion Vlachos
Dynamic Electrification of Dry Reforming of Methane with In Situ Catalyst Regeneration

Article • ACS Energy Letters, January 2023, American Chemical Society (ACS)

Dion Vlachos
Active learning of chemical reaction networksviaprobabilistic graphical models and Boolean reaction circuits

Article • Reaction Chemistry & Engineering, January 2023, Royal Society of Chemistry

Dion Vlachos
Conformations of polyolefins on platinum catalysts control product distribution in plastics recycling

Article • Chemical Science, January 2023, Royal Society of Chemistry

Dion Vlachos
Highly selective cross ketonization of renewable acids over magnesium oxide

Article • Green Chemistry, January 2023, Royal Society of Chemistry

Dion Vlachos
Production of neo acids from biomass-derived monomers

Article • Green Chemistry, January 2023, Royal Society of Chemistry

Dion Vlachos
Reconciling experimental catalytic data stemming from structure sensitivity

Article • Chemical Science, January 2023, Royal Society of Chemistry

Dion Vlachos
Scale-up preparation, column chromatography-free purification of protected carbonyl-containing biomass molecules and their derivatizations

Article • Green Chemistry, January 2023, Royal Society of Chemistry

Dion Vlachos
Transition-state correlations for predicting thermochemistry of adsorbates and surface reactions

Article • Physical Chemistry Chemical Physics, January 2023, Royal Society of Chemistry

Dion Vlachos
Microwave assisted heating of plastic waste: Effect of plastic/susceptor (SiC) contacting patterns

Article • Chemical Engineering and Processing - Process Intensification, December 2022, Elsevier

Dion Vlachos
Activation of Molecular Oxygen for Alcohol Oxidation over Vanadium Carbon Catalysts Synthesized via the Heterogeneous Ligand Strategy

Article • ACS Catalysis, November 2022, American Chemical Society (ACS)

Dion Vlachos
Oxidative Functionalization of Long-Chain Liquid Alkanes by Pulsed Plasma Discharges at Atmospheric Pressure

Article • ACS Sustainable Chemistry & Engineering, November 2022, American Chemical Society (ACS)

Dion Vlachos
Coupling Process Intensification and Systems Flowsheeting for Economic and Environmental Analysis of 5-Hydroxymethyl Furfural Modular Microreactor Plants

Article • ACS Sustainable Chemistry & Engineering, October 2022, American Chemical Society (ACS)

Dion Vlachos
Exploring Structure-Sensitive Relations for Small Species Adsorption Using Machine Learning

Article • Journal of Chemical Information and Modeling, September 2022, American Chemical Society (ACS)

Dion Vlachos
Lignin-Based Water-Soluble Polymers Exhibiting Biodegradability and Activity as Flocculating Agents

Article • ACS Sustainable Chemistry & Engineering, August 2022, American Chemical Society (ACS)

Dion Vlachos
Modified Energy Span Analysis of Catalytic Parallel Pathways and Selectivity

Article • Industrial & Engineering Chemistry Research, August 2022, American Chemical Society (ACS)

Dion Vlachos
Unleashing the Power of Knowledge Extraction from Scientific Literature in Catalysis

Article • Journal of Chemical Information and Modeling, June 2022, American Chemical Society (ACS)

Dion Vlachos
Tuning at the subnanometre scale

Article • Nature Catalysis, June 2022, Springer Science + Business Media

Dion Vlachos
Automated exploitation of the big configuration space of large adsorbates on transition metals reveals chemistry feasibility

Article • Nature Communications, April 2022, Springer Science + Business Media

Dion Vlachos
In Situ Tracking of Nonthermal Plasma Etching of ZIF-8 Films

Article • ACS Applied Materials & Interfaces, April 2022, American Chemical Society (ACS)

Dion Vlachos
Modified Energy Span Analysis Reveals Heterogeneous Catalytic Kinetics

Article • Industrial & Engineering Chemistry Research, April 2022, American Chemical Society (ACS)

Dion Vlachos
Python Group Additivity (pGrAdd) software for estimating species thermochemical properties

Article • Computer Physics Communications, April 2022, Elsevier

Dion Vlachos
Microwave Heating-Induced Temperature Gradients in Liquid–Liquid Biphasic Systems

Article • Industrial & Engineering Chemistry Research, February 2022, American Chemical Society (ACS)

Dion Vlachos
Insights into Supported Subnanometer Catalysts Exposed to CO via Machine-Learning-Enabled Multiscale Modeling

Article • Chemistry of Materials, February 2022, American Chemical Society (ACS)

Dion Vlachos
Modular Plasma Microreactor for Intensified Hydrogen Peroxide Production

Article • ACS Sustainable Chemistry & Engineering, January 2022, American Chemical Society (ACS)

Dion Vlachos
Catalytic resonance of ammonia synthesis by simulated dynamic ruthenium crystal strain

Article • Science Advances, January 2022, American Association for the Advancement of Science

Dion Vlachos
Ambient-pressure lignin valorization to high-performance polymers by intensified reductive catalytic deconstruction

Article • Science Advances, January 2022, American Association for the Advancement of Science

Dion Vlachos
Accelerating manufacturing for biomass conversion via integrated process and bench digitalization: a perspective

Article • Reaction Chemistry & Engineering, January 2022, Royal Society of Chemistry

Dion Vlachos
Antioxidant-induced transformations of a metal-acid hydrocracking catalyst in the deconstruction of polyethylene waste

Article • Green Chemistry, January 2022, Royal Society of Chemistry

Dion Vlachos
Low-temperature CO oxidation over Rh/Al2O3 in a stagnation-flow reactor

Article • Reaction Chemistry & Engineering, January 2022, Royal Society of Chemistry

Dion Vlachos
Microflow chemistry and its electrification for sustainable chemical manufacturing

Article • Chemical Science, January 2022, Royal Society of Chemistry

Dion Vlachos
Plasma technology for lignocellulosic biomass conversion toward an electrified biorefinery

Article • Green Chemistry, January 2022, Royal Society of Chemistry

Dion Vlachos
Plasma-assisted nitrogen fixation: the effect of water presence

Article • Green Chemistry, January 2022, Royal Society of Chemistry

Dion Vlachos
Polyolefin plastic waste hydroconversion to fuels, lubricants, and waxes: a comparative study

Article • Reaction Chemistry & Engineering, January 2022, Royal Society of Chemistry

Dion Vlachos
Inline Rolling Shear Alignment: Deposition and Long-Range Order of Block Polymer Templates in a Fast, Single-Step Process

Article • ACS Applied Polymer Materials, December 2021, American Chemical Society (ACS)

Dion Vlachos
Single pot catalyst strategy to branched products via adhesive isomerization and hydrocracking of polyethylene over platinum tungstated zirconia

Article • Applied Catalysis B Environment and Energy, December 2021, Elsevier

Dion Vlachos
5–5 Lignin Linkage Cleavage over Ru: A Density Functional Theory Study

Article • ACS Sustainable Chemistry & Engineering, November 2021, American Chemical Society (ACS)

Dion Vlachos
NEXTorch: A Design and Bayesian Optimization Toolkit for Chemical Sciences and Engineering

Article • Journal of Chemical Information and Modeling, October 2021, American Chemical Society (ACS)

Dion Vlachos
Real-time dynamics and structures of supported subnanometer catalysts via multiscale simulations

Article • Nature Communications, September 2021, Springer Science + Business Media

Dion Vlachos
Prediction of Transition-State Scaling Relationships and Universal Transition-State Vibrational and Entropic Correlations for Dehydrogenations

Article • The Journal of Physical Chemistry C, September 2021, American Chemical Society (ACS)

Dion Vlachos
Recent Advances in the Photocatalytic Conversion of Biomass-Derived Furanic Compounds

Article • ACS Catalysis, August 2021, American Chemical Society (ACS)

Dion Vlachos
Uncertainty Quantification and Error Propagation in the Enthalpy and Entropy of Surface Reactions Arising from a Single DFT Functional

Article • The Journal of Physical Chemistry C, August 2021, American Chemical Society (ACS)

Dion Vlachos
Brønsted Acid Catalysis of the Direct Acylation of 2-Methylfuran by Acetic Acid. Theoretical Insights into the Role of Brønsted Acidity and Confinement

Article • ACS Catalysis, July 2021, American Chemical Society (ACS)

Dion Vlachos
Catalytic Resonance of Ammonia Synthesis by Dynamic Ruthenium Crystal Strain

Article • July 2021, Cambridge University Press

Dion Vlachos
Catalytic Resonance of Ammonia Synthesis by Dynamic Ruthenium Crystal Strain

Article • July 2021, American Chemical Society (ACS)

Dion Vlachos
Theoretical Study of Ethylene Hydroformylation on Atomically Dispersed Rh/Al2O3 Catalysts: Reaction Mechanism and Influence of the ReOx Promoter

Article • ACS Catalysis, July 2021, American Chemical Society (ACS)

Dion Vlachos
Learning Chemistry of Complex Reaction Systems via a Python First-Principles Reaction Rule Stencil (pReSt) Generator

Article • Journal of Chemical Information and Modeling, July 2021, American Chemical Society (ACS)

Dion Vlachos
Polypropylene Plastic Waste Conversion to Lubricants over Ru/TiO2 Catalysts

Article • ACS Catalysis, June 2021, American Chemical Society (ACS)

Dion Vlachos
Experimental and Theoretical Insights into the Active Sites on WOx/Pt(111) Surfaces for Dehydrogenation and Dehydration Reactions

Article • ACS Catalysis, June 2021, American Chemical Society (ACS)

Dion Vlachos
Extraction of Furfural and Furfural/5-Hydroxymethylfurfural from Mixed Lignocellulosic Biomass-Derived Feedstocks

Article • ACS Sustainable Chemistry & Engineering, May 2021, American Chemical Society (ACS)

Dion Vlachos
Plastic waste to fuels by hydrocracking at mild conditions

Article • Science Advances, April 2021, American Association for the Advancement of Science

Dion Vlachos
Process Systems Engineering Perspective on the Design of Materials and Molecules

Article • Industrial & Engineering Chemistry Research, March 2021, American Chemical Society (ACS)

Dion Vlachos
Liquid–Liquid Microfluidic Flows for Ultrafast 5-Hydroxymethyl Furfural Extraction

Article • Industrial & Engineering Chemistry Research, February 2021, American Chemical Society (ACS)

Dion Vlachos
Accurate Thermochemistry of Complex Lignin Structures via Density Functional Theory, Group Additivity, and Machine Learning

Article • ACS Sustainable Chemistry & Engineering, February 2021, American Chemical Society (ACS)

Dion Vlachos
Scaling of Transition State Vibrational Frequencies and Application of d-Band Theory to the Brønsted–Evans–Polanyi Relationship on Surfaces

Article • The Journal of Physical Chemistry C, February 2021, American Chemical Society (ACS)

Dion Vlachos
Temperature Homogeneity under Selective and Localized Microwave Heating in Structured Flow Reactors

Article • Industrial & Engineering Chemistry Research, January 2021, American Chemical Society (ACS)

Dion Vlachos
Ethane Dehydrogenation on Single and Dual Centers of Ga-modified γ-Al2O3

Article • ACS Catalysis, January 2021, American Chemical Society (ACS)

Dion Vlachos
A review of thermal and thermocatalytic valorization of food waste

Article • Green Chemistry, January 2021, Royal Society of Chemistry

Dion Vlachos
Cost and energy efficient cyclic separation of 5-hydroxymethyl furfural from an aqueous solution

Article • Green Chemistry, January 2021, Royal Society of Chemistry

Dion Vlachos
Fast microflow kinetics and acid catalyst deactivation in glucose conversion to 5-hydroxymethylfurfural

Article • Reaction Chemistry & Engineering, January 2021, Royal Society of Chemistry

Dion Vlachos
Improved slit-shaped microseparator and its integration with a microreactor for modular biomanufacturing

Article • Green Chemistry, January 2021, Royal Society of Chemistry

Dion Vlachos
Lignin monomer conversion into biolubricant base oils

Article • Green Chemistry, January 2021, Royal Society of Chemistry

Dion Vlachos
One-step lignocellulose depolymerization and saccharification to high sugar yield and less condensed isolated lignin

Article • Green Chemistry, January 2021, Royal Society of Chemistry

Dion Vlachos
Production of renewable oleo-furan surfactants by cross-ketonization of biomass-derived furoic acid and fatty acids

Article • Catalysis Science & Technology, January 2021, Royal Society of Chemistry

Dion Vlachos
Synthesis of (hemi)cellulosic lubricant base oilsviacatalytic coupling and deoxygenation pathways

Article • Green Chemistry, January 2021, Royal Society of Chemistry

Dion Vlachos
Experimental Insights into the Coupling of Methane Combustion and Steam Reforming in a Catalytic Plate Reactor in Transient Mode

Article • Industrial & Engineering Chemistry Research, December 2020, American Chemical Society (ACS)

Dion Vlachos
Spectroscopic Probe Molecule Selection Using Quantum Theory, First-Principles Calculations, and Machine Learning

Article • ACS Nano, November 2020, American Chemical Society (ACS)

Dion Vlachos
Explainable and trustworthy artificial intelligence for correctable modeling in chemical sciences

Article • Science Advances, October 2020, American Association for the Advancement of Science

Dion Vlachos
Finite-Temperature Structures of Supported Subnanometer Catalysts Inferred via Statistical Learning and Genetic Algorithm-Based Optimization

Article • ACS Nano, October 2020, American Chemical Society (ACS)

Dion Vlachos
The Catalytic Mechanics of Dynamic Surfaces: Stimulating Methods for Promoting Catalytic Resonance

Article • ACS Catalysis, September 2020, American Chemical Society (ACS)

Dion Vlachos
Stability of heterogeneous single-atom catalysts: a scaling law mapping thermodynamics to kinetics

Article • npj Computational Materials, September 2020, Springer Science + Business Media

Dion Vlachos
Thermochemical Data Fusion Using Graph Representation Learning

Article • Journal of Chemical Information and Modeling, September 2020, American Chemical Society (ACS)

Dion Vlachos
Reversible Formation of Silanol Groups in Two-Dimensional Siliceous Nanomaterials under Mild Hydrothermal Conditions

Article • The Journal of Physical Chemistry C, July 2020, American Chemical Society (ACS)

Dion Vlachos
The Future is Garbage: Repurposing of Food Waste to an Integrated Biorefinery

Article • ACS Sustainable Chemistry & Engineering, May 2020, American Chemical Society (ACS)

Dion Vlachos
Operation and Optimization of Microwave-Heated Continuous-Flow Microfluidics

Article • Industrial & Engineering Chemistry Research, May 2020, American Chemical Society (ACS)

Dion Vlachos
C–O bond activation using ultralow loading of noble metal catalysts on moderately reducible oxides

Article • Nature Catalysis, March 2020, Springer Science + Business Media

Dion Vlachos
Infrared spectroscopy data- and physics-driven machine learning for characterizing surface microstructure of complex materials

Article • Nature Communications, March 2020, Springer Science + Business Media

Dion Vlachos
Understanding solvent effects on adsorption and protonation in porous catalysts

Article • Nature Communications, February 2020, Springer Science + Business Media

Dion Vlachos
An unconventional DCOx favored Co/N-C catalyst for efficient conversion of fatty acids and esters to liquid alkanes

Article • Applied Catalysis A General, February 2020, Elsevier

Dion Vlachos
Active learning-driven quantitative synthesis–structure–property relations for improving performance and revealing active sites of nitrogen-doped carbon for the hydrogen evolution reaction

Article • Reaction Chemistry & Engineering, January 2020, Royal Society of Chemistry

Dion Vlachos
Catalytic resonance theory: parallel reaction pathway control

Article • Chemical Science, January 2020, Royal Society of Chemistry

Dion Vlachos
Experiments and computations of microfluidic liquid–liquid flow patterns

Article • Reaction Chemistry & Engineering, January 2020, Royal Society of Chemistry

Dion Vlachos
Growth kinetics of humins studied via X-ray scattering

Article • Green Chemistry, January 2020, Royal Society of Chemistry

Dion Vlachos
Reductive catalytic fractionation of agricultural residue and energy crop lignin and application of lignin oil in antimicrobials

Article • Green Chemistry, January 2020, Royal Society of Chemistry

Dion Vlachos
Solvent selection for biphasic extraction of 5-hydroxymethylfurfural via multiscale modeling and experiments

Article • Green Chemistry, January 2020, Royal Society of Chemistry

Dion Vlachos
Surface chemistry dictates stability and oxidation state of supported single metal catalyst atoms

Article • Chemical Science, January 2020, Royal Society of Chemistry

Dion Vlachos
Thiol-promoted catalytic synthesis of high-performance furan-containing lubricant base oils from biomass derived 2-alkylfurans and ketones

Article • Green Chemistry, January 2020, Royal Society of Chemistry

Dion Vlachos
Catalytic Adipic Acid Production on Zeolites from Biomass-Derived Tetrahydrofuran-2,5-dicarboxylic Acid

Article • ACS Applied Energy Materials, December 2019, American Chemical Society (ACS)

Dion Vlachos
Branched Bio‐Lubricant Base Oil Production through Aldol Condensation

Article • ChemSusChem, October 2019, Wiley

Dion Vlachos
Front Cover: Branched Bio‐Lubricant Base Oil Production through Aldol Condensation (ChemSusChem 21/2019)

Article • ChemSusChem, October 2019, Wiley

Dion Vlachos
Scaleup of a Single-Mode Microwave Reactor

Article • Industrial & Engineering Chemistry Research, October 2019, American Chemical Society (ACS)

Dion Vlachos
Volcano Curves for in Silico Prediction of Mono- and Bifunctional Catalysts: Application to Ammonia Decomposition

Article • The Journal of Physical Chemistry C, October 2019, American Chemical Society (ACS)

Dion Vlachos
Dehydra-Decyclization of Tetrahydrofuran on H-ZSM5: Mechanisms, Pathways, and Transition State Entropy

Article • ACS Catalysis, October 2019, American Chemical Society (ACS)

Dion Vlachos
Volcano curves for homologous series reactions: Oxidation of small alkanes

Article • Applied Catalysis A General, October 2019, Elsevier

Dion Vlachos
Branched Bio‐Lubricant Base Oil Production through Aldol Condensation

Article • ChemSusChem, September 2019, Wiley

Dion Vlachos
Understanding Acidity of Molten Salt Hydrate Media for Cellulose Hydrolysis by Combining Kinetic Studies, Electrolyte Solution Modeling, Molecular Dynamics Simulations, and 13C NMR Experiments

Article • ACS Catalysis, September 2019, American Chemical Society (ACS)

Dion Vlachos
110th Anniversary: Kinetics and X-ray Absorption Spectroscopy in Methane Total Oxidation over Alumina-Supported Pt, Pd, and Ag–Pd Catalysts

Article • Industrial & Engineering Chemistry Research, August 2019, American Chemical Society (ACS)

Dion Vlachos
Homogeneous Metal Salt Solutions for Biomass Upgrading and Other Select Organic Reactions

Article • ACS Catalysis, August 2019, American Chemical Society (ACS)

Dion Vlachos
Molybdenum Oxide-Modified Iridium Catalysts for Selective Production of Renewable Oils for Jet and Diesel Fuels and Lubricants

Article • ACS Catalysis, July 2019, American Chemical Society (ACS)

Dion Vlachos
First-Principles Kinetic and Spectroscopic Insights into Single-Atom Catalysis

Article • ACS Catalysis, April 2019, American Chemical Society (ACS)

Dion Vlachos
Microkinetic modeling of aqueous phase biomass conversion: Application to ethylene glycol reforming

Article • Chemical Engineering Science, April 2019, Elsevier

Dion Vlachos
Theoretical Approach To Predict the Stability of Supported Single-Atom Catalysts

Article • ACS Catalysis, March 2019, American Chemical Society (ACS)

Dion Vlachos
Fundamentals of C–O bond activation on metal oxide catalysts

Article • Nature Catalysis, February 2019, Springer Science + Business Media

Dion Vlachos
Chemoselective Hydrodeoxygenation of Carboxylic Acids to Hydrocarbons over Nitrogen-Doped Carbon–Alumina Hybrid Supported Iron Catalysts

Article • ACS Catalysis, January 2019, American Chemical Society (ACS)

Dion Vlachos
Catalytic production of renewable lubricant base oils from bio-based 2-alkylfurans and enals

Article • Green Chemistry, January 2019, Royal Society of Chemistry

Dion Vlachos
Production of high-yield short-chain oligomers from cellulose via selective hydrolysis in molten salt hydrates and separation

Article • Green Chemistry, January 2019, Royal Society of Chemistry

Dion Vlachos
Ultrafast flow chemistry for the acid-catalyzed conversion of fructose

Article • Energy & Environmental Science, January 2019, Royal Society of Chemistry

Dion Vlachos
Effect of Substitutionally Doped Graphene on the Activity of Metal Nanoparticle Catalysts for the Hydrogen Oxidation Reaction

Article • ACS Catalysis, December 2018, American Chemical Society (ACS)

Dion Vlachos
Multiscale Modeling Combined with Active Learning for Microstructure Optimization of Bifunctional Catalysts

Article • Industrial & Engineering Chemistry Research, December 2018, American Chemical Society (ACS)

Dion Vlachos
Kinetic Studies of Acid Hydrolysis of Food Waste-Derived Saccharides

Article • Industrial & Engineering Chemistry Research, November 2018, American Chemical Society (ACS)

Dion Vlachos
Catalytic Hydrotreatment of Humins to Bio‐Oil in Methanol over Supported Metal Catalysts

Article • ChemSusChem, October 2018, Wiley

Dion Vlachos
Front Cover: Catalytic Hydrotreatment of Humins to Bio‐Oil in Methanol over Supported Metal Catalysts (ChemSusChem 20/2018)

Article • ChemSusChem, October 2018, Wiley

Dion Vlachos
Catalytic Hydrotreatment of Humins to Bio‐Oil in Methanol over Supported Metal Catalysts

Article • ChemSusChem, September 2018, Wiley

Dion Vlachos
Cooperative Catalysis by Surface Lewis Acid/Silanol for Selective Fructose Etherification on Sn-SPP Zeolite

Article • ACS Catalysis, August 2018, American Chemical Society (ACS)

Dion Vlachos
Mechanistic Study of the Direct Hydrodeoxygenation of m-Cresol over WOx-Decorated Pt/C Catalysts

Article • ACS Catalysis, July 2018, American Chemical Society (ACS)

Dion Vlachos
Microkinetic Modeling and Reduced Rate Expression of the Water–Gas Shift Reaction on Nickel

Article • Industrial & Engineering Chemistry Research, July 2018, American Chemical Society (ACS)

Dion Vlachos
From Tree to Tape: Direct Synthesis of Pressure Sensitive Adhesives from Depolymerized Raw Lignocellulosic Biomass

Article • ACS Central Science, May 2018, American Chemical Society (ACS)

Dion Vlachos
Characterization of Oxidation States in Metal/Metal Oxide Catalysts in Liquid-Phase Hydrodeoxygenation Reactions with a Trickle Bed Reactor

Article • Industrial & Engineering Chemistry Research, April 2018, American Chemical Society (ACS)

Dion Vlachos
Non-parametric correlative uncertainty quantification and sensitivity analysis: Application to a Langmuir bimolecular adsorption model

Article • AIP Advances, March 2018, American Institute of Physics

Dion Vlachos
Adipic acid production catalyzed by a combination of a solid acid and an iodide salt from biomass-derived tetrahydrofuran-2,5-dicarboxylic acid

Article • Catalysis Science & Technology, January 2018, Royal Society of Chemistry

Dion Vlachos
Direct speciation methods to quantify catalytically active species of AlCl3in glucose isomerization

Article • RSC Advances, January 2018, Royal Society of Chemistry

Dion Vlachos
Structural analysis of humins formed in the Brønsted acid catalyzed dehydration of fructose

Article • Green Chemistry, January 2018, Royal Society of Chemistry

Dion Vlachos
Thermochemistry of gas-phase and surface speciesviaLASSO-assisted subgraph selection

Article • Reaction Chemistry & Engineering, January 2018, Royal Society of Chemistry

Dion Vlachos
Acceleration and sensitivity analysis of lattice kinetic Monte Carlo simulations using parallel processing and rate constant rescaling

Article • The Journal of Chemical Physics, October 2017, American Institute of Physics

Dion Vlachos
Tandem Aromatization of Oxygenated Furans by Framework Zinc In Zeolites. A Computational Study

Article • The Journal of Physical Chemistry C, September 2017, American Chemical Society (ACS)

Dion Vlachos
Role of Lewis and Brønsted Acidity in Metal Chloride Catalysis in Organic Media: Reductive Etherification of Furanics

Article • ACS Catalysis, September 2017, American Chemical Society (ACS)

Dion Vlachos
Distribution of open sites in Sn-Beta zeolite

Article • Microporous and Mesoporous Materials, June 2017, Elsevier

Dion Vlachos
Selective hydrodeoxygenation of tartaric acid to succinic acid

Article • Catalysis Science & Technology, January 2017, Royal Society of Chemistry

Dion Vlachos
Deactivation of Pt/Al2O3 during propane oxidation at low temperatures: Kinetic regimes and platinum oxide formation

Article • Journal of Catalysis, May 2016, Elsevier

Dion Vlachos
Inhibition of Xylene Isomerization in the Production of Renewable Aromatic Chemicals from Biomass-Derived Furans

Article • ACS Catalysis, February 2016, American Chemical Society (ACS)

Dion Vlachos
Stochastic averaging and sensitivity analysis for two scale reaction networks

Article • The Journal of Chemical Physics, February 2016, American Institute of Physics

Dion Vlachos
Mechanistic Insights into Lewis Acid Metal Salt-Catalyzed Glucose Chemistry in Aqueous Solution

Article • ACS Catalysis, February 2016, American Chemical Society (ACS)

Dion Vlachos
Nickel supported on nitrogen-doped carbon nanotubes as hydrogen oxidation reaction catalyst in alkaline electrolyte

Article • Nature Communications, January 2016, Springer Science + Business Media

Dion Vlachos
Kinetic regimes in the tandem reactions of H-BEA catalyzed formation of p-xylene from dimethylfuran

Article • Catalysis Science & Technology, January 2016, Royal Society of Chemistry

Dion Vlachos
Molecular structure, morphology and growth mechanisms and rates of 5-hydroxymethyl furfural (HMF) derived humins

Article • Green Chemistry, January 2016, Royal Society of Chemistry

Dion Vlachos
Diels–Alder cycloaddition of 2-methylfuran and ethylene for renewable toluene

Article • Applied Catalysis B Environment and Energy, January 2016, Elsevier

Dion Vlachos
Tandem Lewis acid/Brønsted acid-catalyzed conversion of carbohydrates to 5-hydroxymethylfurfural using zeolite beta

Article • Journal of Catalysis, January 2016, Elsevier

Dion Vlachos
Computational Insights into the Role of Metal and Acid Sites in Bifunctional Metal/Zeolite Catalysts: A Case Study of Acetone Hydrogenation to 2-Propanol and Subsequent Dehydration to Propene

Article • ACS Catalysis, December 2015, American Chemical Society (ACS)

Dion Vlachos
Patched bimetallic surfaces are active catalysts for ammonia decomposition

Article • Nature Communications, October 2015, Springer Science + Business Media

Dion Vlachos
Computational Insight into the Effect of Sn-Beta Na Exchange and Solvent on Glucose Isomerization and Epimerization

Article • ACS Catalysis, August 2015, American Chemical Society (ACS)

Dion Vlachos
Mechanistic Insights into the Electrochemical Reduction of CO2 to CO on Nanostructured Ag Surfaces

Article • ACS Catalysis, June 2015, American Chemical Society (ACS)

Dion Vlachos
Mechanistic Insights into Metal Lewis Acid-Mediated Catalytic Transfer Hydrogenation of Furfural to 2-Methylfuran

Article • ACS Catalysis, June 2015, American Chemical Society (ACS)

Dion Vlachos
Liquid‐Phase Catalytic Transfer Hydrogenation of Furfural over Homogeneous Lewis Acid–Ru/C Catalysts

Article • ChemSusChem, May 2015, Wiley

Dion Vlachos
Group Additivity and Modified Linear Scaling Relations for Estimating Surface Thermochemistry on Transition Metal Surfaces: Application to Furanics

Article • The Journal of Physical Chemistry C, April 2015, American Chemical Society (ACS)

Dion Vlachos
Mechanism of Brønsted Acid‐Catalyzed Glucose Dehydration

Article • ChemSusChem, April 2015, Wiley

Dion Vlachos
Cover Picture: Mechanism of Brønsted Acid‐Catalyzed Glucose Dehydration (ChemSusChem 8/2015)

Article • ChemSusChem, April 2015, Wiley

Dion Vlachos
Reaction Pathways of Biomass‐Derived Oxygenates over Metals and Carbides: From Model Surfaces to Supported Catalysts

Article • ChemCatChem, March 2015, Wiley

Dion Vlachos
Kinetic Regime Change in the Tandem Dehydrative Aromatization of Furan Diels–Alder Products

Article • ACS Catalysis, March 2015, American Chemical Society (ACS)

Dion Vlachos
Ring Activation of Furanic Compounds on Ruthenium-Based Catalysts

Article • The Journal of Physical Chemistry C, March 2015, American Chemical Society (ACS)

Dion Vlachos
DFT Study of the Conversion of Furfuryl Alcohol to 2-Methylfuran on RuO2 (110)

Article • The Journal of Physical Chemistry C, March 2015, American Chemical Society (ACS)

Dion Vlachos
Analysis and control of heteroepitaxial systems

Article • Journal of Process Control, March 2015, Elsevier

Dion Vlachos
DFT-driven multi-site microkinetic modeling of ethanol conversion to ethylene and diethyl ether on γ-Al2O3(1 1 1)

Article • Journal of Catalysis, March 2015, Elsevier

Dion Vlachos
Steady state likelihood ratio sensitivity analysis for stiff kinetic Monte Carlo simulations

Article • The Journal of Chemical Physics, January 2015, American Institute of Physics

Dion Vlachos
Mechanism of Brønsted Acid-Catalyzed Glucose Dehydration

Article • ChemSusChem, January 2015, Wiley

Dion Vlachos
Catalysis at the sub-nanoscale: complex CO oxidation chemistry on a few Au atoms

Article • Catalysis Science & Technology, January 2015, Royal Society of Chemistry

Dion Vlachos
Tandem Lewis/Brønsted homogeneous acid catalysis: conversion of glucose to 5-hydoxymethylfurfural in an aqueous chromium(iii) chloride and hydrochloric acid solution

Article • Green Chemistry, January 2015, Royal Society of Chemistry

Dion Vlachos
Building large microkinetic models with first-principles׳ accuracy at reduced computational cost

Article • Chemical Engineering Science, January 2015, Elsevier

Dion Vlachos
Ethanol Activation on Closed-Packed Surfaces

Article • Industrial & Engineering Chemistry Research, December 2014, American Chemical Society (ACS)

Dion Vlachos
Solvent-Induced Frequency Shifts of 5-Hydroxymethylfurfural Deduced via Infrared Spectroscopy and ab Initio Calculations

Article • The Journal of Physical Chemistry A, December 2014, American Chemical Society (ACS)

Dion Vlachos
Guaiacol Hydrodeoxygenation Mechanism on Pt(111): Insights from Density Functional Theory and Linear Free Energy Relations

Article • ChemSusChem, December 2014, Wiley

Dion Vlachos
Coverage-Induced Conformational Effects on Activity and Selectivity: Hydrogenation and Decarbonylation of Furfural on Pd(111)

Article • ACS Catalysis, November 2014, American Chemical Society (ACS)

Dion Vlachos
Hydrodeoxygenation of HMF over Pt/C in a continuous flow reactor

Article • AIChE Journal, October 2014, Wiley

Raymond J. Gorte, Dion Vlachos
Effect of hydrogen donor on liquid phase catalytic transfer hydrogenation of furfural over a Ru/RuO2/C catalyst

Article • Journal of Molecular Catalysis A Chemical, October 2014, Elsevier

Dion Vlachos
On the oligomerization mechanism of Brønsted acid-catalyzed conversion of furans to diesel-range fuels

Article • Applied Catalysis A General, September 2014, Elsevier

Dion Vlachos
Challenges of and Insights into Acid-Catalyzed Transformations of Sugars

Article • The Journal of Physical Chemistry C, August 2014, American Chemical Society (ACS)

Professor Stanley I Sandler, Dion Vlachos
Group Additivity for Estimating Thermochemical Properties of Furanic Compounds on Pd(111)

Article • Industrial & Engineering Chemistry Research, July 2014, American Chemical Society (ACS)

Dion Vlachos
Solvent-tuned hydrophobicity for faujasite-catalyzed cycloaddition of biomass-derived dimethylfuran for renewable p-xylene

Article • Green Chemistry, July 2014, Royal Society of Chemistry

Professor Stanley I Sandler, Dion Vlachos
Microkinetic Modeling of Ethane Total Oxidation on Pt

Article • Industrial & Engineering Chemistry Research, June 2014, American Chemical Society (ACS)

Dion Vlachos
Site-Dependent Lewis Acidity of γ-Al2O3and Its Impact on Ethanol Dehydration and Etherification

Article • The Journal of Physical Chemistry C, June 2014, American Chemical Society (ACS)

Dion Vlachos
Liquid phase catalytic transfer hydrogenation of furfural over a Ru/C catalyst

Article • Applied Catalysis A General, June 2014, Elsevier

Dion Vlachos
Theoretical and Experimental Studies of C–C versus C–O Bond Scission of Ethylene Glycol Reaction Pathways via Metal-Modified Molybdenum Carbides

Article • ACS Catalysis, April 2014, American Chemical Society (ACS)

Dion Vlachos
Correction to Kinetics of Homogeneous Brønsted Acid Catalyzed Fructose Dehydration and 5-Hydroxymethyl Furfural Rehydration: A Combined Experimental and Computational Study

Article • ACS Catalysis, April 2014, American Chemical Society (ACS)

Dion Vlachos
The Role of Ru and RuO2 in the Catalytic Transfer Hydrogenation of 5‐Hydroxymethylfurfural for the Production of 2,5‐Dimethylfuran

Article • ChemCatChem, February 2014, Wiley

Dion Vlachos
Cascade of Liquid‐Phase Catalytic Transfer Hydrogenation and Etherification of 5‐Hydroxymethylfurfural to Potential Biodiesel Components over Lewis Acid Zeolites

Article • ChemCatChem, January 2014, Wiley

Dion Vlachos
Brønsted–Evans–Polanyi and Transition State Scaling Relations of Furan Derivatives on Pd(111) and Their Relation to Those of Small Molecules

Article • ACS Catalysis, January 2014, American Chemical Society (ACS)

Dion Vlachos
On factors controlling activity of submonolayer bimetallic catalysts: Nitrogen desorption

Article • The Journal of Chemical Physics, January 2014, American Institute of Physics

Dion Vlachos
Tungsten carbides as selective deoxygenation catalysts: experimental and computational studies of converting C3 oxygenates to propene

Article • Green Chemistry, January 2014, Royal Society of Chemistry

Dion Vlachos
A DFT study of furan hydrogenation and ring opening on Pd(111)

Article • Green Chemistry, January 2014, Royal Society of Chemistry

Dion Vlachos
Vapor phase hydrodeoxygenation of furfural to 2-methylfuran on molybdenum carbide catalysts

Article • Catalysis Science & Technology, January 2014, Royal Society of Chemistry

Neil Razdan, Dion Vlachos
The effect of oxide acidity on HMF etherification

Article • Catalysis Science & Technology, January 2014, Royal Society of Chemistry

Raymond J. Gorte, Dion Vlachos
Tuning cellulose pyrolysis chemistry: selective decarbonylation via catalyst-impregnated pyrolysis

Article • Catalysis Science & Technology, January 2014, Royal Society of Chemistry

Dion Vlachos
Insights into the Cr(iii) catalyzed isomerization mechanism of glucose to fructose in the presence of water using ab initio molecular dynamics

Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

Dion Vlachos
Aqueous-phase fructose dehydration using Brønsted acid zeolites: Catalytic activity of dissolved aluminosilicate species

Article • Applied Catalysis A General, January 2014, Elsevier

Dion Vlachos
A robust and efficient triangulation-based optimization algorithm for stochastic black-box systems

Article • Computers & Chemical Engineering, January 2014, Elsevier

Dion Vlachos
Kinetics of Homogeneous Brønsted Acid Catalyzed Fructose Dehydration and 5-Hydroxymethyl Furfural Rehydration: A Combined Experimental and Computational Study

Article • ACS Catalysis, December 2013, American Chemical Society (ACS)

Dion Vlachos
Parametric sensitivity analysis for biochemical reaction networks based on pathwise information theory

Article • BMC Bioinformatics, October 2013, Springer Science + Business Media

Dion Vlachos
Core–Shell Nanocatalyst Design by Combining High‐Throughput Experiments and First‐Principles Simulations

Article • ChemCatChem, October 2013, Wiley

Dion Vlachos
Adsorption of HMF from Water/DMSO Solutions onto Hydrophobic Zeolites: Experiment and Simulation

Article • ChemSusChem, September 2013, Wiley

Professor Stanley I Sandler, Dion Vlachos
Comparison of Homogeneous and Heterogeneous Catalysts for Glucose-to-Fructose Isomerization in Aqueous Media

Article • ChemSusChem, September 2013, Wiley

Professor Stanley I Sandler, Dion Vlachos
Role of Silanol Group in Sn-Beta Zeolite for Glucose Isomerization and Epimerization Reactions

Article • ACS Catalysis, September 2013, American Chemical Society (ACS)

Dion Vlachos
Design Principles of Heteroepitaxial Bimetallic Catalysts

Article • ACS Catalysis, September 2013, American Chemical Society (ACS)

Dion Vlachos
On the Brønsted Acid‐Catalyzed Homogeneous Hydrolysis of Furans

Article • ChemSusChem, September 2013, Wiley

Dion Vlachos
Density Functional Theory-Computed Mechanisms of Ethylene and Diethyl Ether Formation from Ethanol on γ-Al2O3(100)

Article • ACS Catalysis, August 2013, American Chemical Society (ACS)

Dion Vlachos
Comparison of Ethylene Glycol Steam Reforming Over Pt and NiPt Catalysts on Various Supports

Article • Topics in Catalysis, July 2013, Springer Science + Business Media

Dion Vlachos
Production of Dimethylfuran from Hydroxymethylfurfural through Catalytic Transfer Hydrogenation with Ruthenium Supported on Carbon

Article • ChemSusChem, June 2013, Wiley

Dion Vlachos
Adsorption of the Compounds Encountered in Monosaccharide Dehydration in Zeolite Beta

Article • Langmuir, May 2013, American Chemical Society (ACS)

Dion Vlachos
Elucidating the Roles of Zeolite H-BEA in Aqueous-Phase Fructose Dehydration and HMF Rehydration

Article • ACS Catalysis, May 2013, American Chemical Society (ACS)

Dion Vlachos
Effect of local metal microstructure on adsorption on bimetallic surfaces: Atomic nitrogen on Ni/Pt(111)

Article • The Journal of Chemical Physics, May 2013, American Institute of Physics

Dion Vlachos
Reactive adsorption for the selective dehydration of sugars to furans: Modeling and experiments

Article • AIChE Journal, April 2013, Wiley

Dion Vlachos
Selective Hydrodeoxygenation of Biomass‐Derived Oxygenates to Unsaturated Hydrocarbons using Molybdenum Carbide Catalysts

Article • ChemSusChem, April 2013, Wiley

Dion Vlachos
Insights into the Interplay of Lewis and Brønsted Acid Catalysts in Glucose and Fructose Conversion to 5-(Hydroxymethyl)furfural and Levulinic Acid in Aqueous Media

Article • Journal of the American Chemical Society, March 2013, American Chemical Society (ACS)

Dr Andrzej Anderko, Dion Vlachos
Insights into the isomerization of xylose to xylulose and lyxose by a Lewis acid catalyst

Article • Carbohydrate Research, March 2013, Elsevier

Dion Vlachos
Combined DFT, Microkinetic, and Experimental Study of Ethanol Steam Reforming on Pt

Article • The Journal of Physical Chemistry C, February 2013, American Chemical Society (ACS)

Dion Vlachos
Extinction in solid fuel combustion: Part II Detailed model

Article • Fire Safety Journal, February 2013, Elsevier

Dion Vlachos
Effect of oxide supports in stabilizing desirable Pt–Ni bimetallic structures for hydrogenation and reforming reactions

Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

Dion Vlachos
A DFT study of the acid-catalyzed conversion of 2,5-dimethylfuran and ethylene to p-xylene

Article • Journal of Catalysis, January 2013, Elsevier

Dion Vlachos
Error estimates in semi-empirical estimation methods of surface reactions

Article • Journal of Catalysis, January 2013, Elsevier

Dion Vlachos
Extinction of surface stabilized gaseous diffusion flames: Part I Simplified numerical model and implications for solid fuels in fires

Article • Fire Safety Journal, January 2013, Elsevier

Dion Vlachos
Design and Fabrication of a High-Throughput Microreactor and Its Evaluation for Highly Exothermic Reactions

Article • Industrial & Engineering Chemistry Research, December 2012, American Chemical Society (ACS)

Dion Vlachos
Liquid-phase dehydration of propylene glycol using solid-acid catalysts

Article • Applied Catalysis A General, December 2012, Elsevier

Dion Vlachos
Biomass-derived oxygenate reforming on Pt(111): A demonstration of surface science using d-glucose and its model surrogate glycolaldehyde

Article • Surface Science, December 2012, Elsevier

Dion Vlachos
Unraveling the Complexity of Catalytic Reactions via Kinetic Monte Carlo Simulation: Current Status and Frontiers

Article • ACS Catalysis, November 2012, American Chemical Society (ACS)

Dion Vlachos
DFT Study of Furfural Conversion to Furan, Furfuryl Alcohol, and 2-Methylfuran on Pd(111)

Article • ACS Catalysis, October 2012, American Chemical Society (ACS)

Dion Vlachos
Correlating Ethylene Glycol Reforming Activity with In Situ EXAFS Detection of Ni Segregation in Supported NiPt Bimetallic Catalysts

Article • ACS Catalysis, September 2012, American Chemical Society (ACS)

Dion Vlachos
DFT Study of the Water–Gas Shift Reaction and Coke Formation on Ni(111) and Ni(211) Surfaces

Article • The Journal of Physical Chemistry C, September 2012, American Chemical Society (ACS)

Dion Vlachos
Density Functional Theory Study of Methane Oxidation and Reforming on Pt(111) and Pt(211)

Article • Industrial & Engineering Chemistry Research, September 2012, American Chemical Society (ACS)

Dion Vlachos
Fructose–Water–Dimethylsulfoxide Interactions by Vibrational Spectroscopy and Molecular Dynamics Simulations

Article • The Journal of Physical Chemistry B, August 2012, American Chemical Society (ACS)

Dion Vlachos
Conversion of Xylose to Furfural Using Lewis and Brønsted Acid Catalysts in Aqueous Media

Article • ACS Catalysis, August 2012, American Chemical Society (ACS)

Professor Stanley I Sandler, Dion Vlachos
Correlating the Surface Chemistry of C2 and C3 Aldoses with a C6 Sugar: Reaction of Glucose, Glyceraldehyde, and Glycolaldehyde on Pd(111)

Article • The Journal of Physical Chemistry C, August 2012, American Chemical Society (ACS)

Dion Vlachos
Carbohydrate dehydration using porous catalysts

Article • Current Opinion in Chemical Engineering, August 2012, Elsevier

Dion Vlachos
Efficient gradient estimation using finite differencing and likelihood ratios for kinetic Monte Carlo simulations

Article • Journal of Computational Physics, August 2012, Elsevier

Dion Vlachos
Mechanistic Study of Alcohol Dehydration on γ-Al2O3

Article • ACS Catalysis, July 2012, American Chemical Society (ACS)

Dion Vlachos
A Theoretical and Computational Analysis of Linear Free Energy Relations for the Estimation of Activation Energies

Article • ACS Catalysis, July 2012, American Chemical Society (ACS)

Dion Vlachos
Microkinetic modeling of Pt-catalyzed ethylene glycol steam reforming

Article • Applied Catalysis A General, July 2012, Elsevier

Dion Vlachos
Multiscale Modeling Reveals Poisoning Mechanisms of MgO-Supported Au Clusters in CO Oxidation

Article • Nano Letters, June 2012, American Chemical Society (ACS)

Dion Vlachos
A review on microcombustion: Fundamentals, devices and applications

Article • Progress in Energy and Combustion Science, June 2012, Elsevier

Dion Vlachos
Cycloaddition of Biomass-Derived Furans for Catalytic Production of Renewable p-Xylene

Article • ACS Catalysis, April 2012, American Chemical Society (ACS)

Dion Vlachos
Kinetic Modeling of Pt-Catalyzed Glycolaldehyde Decomposition to Syngas

Article • The Journal of Physical Chemistry A, April 2012, American Chemical Society (ACS)

Dion Vlachos
Multiscale modeling for emergent behavior, complexity, and combinatorial explosion

Article • AIChE Journal, March 2012, Wiley

Dion Vlachos
Multilevel coarse graining and nano-pattern discovery in many particle stochastic systems

Article • Journal of Computational Physics, March 2012, Elsevier

Dion Vlachos
Molecular Screening of Alcohol and Polyol Adsorption onto MFI-Type Zeolites

Article • Langmuir, February 2012, American Chemical Society (ACS)

Professor Stanley I Sandler, Dion Vlachos
Dehydration of Glucose to 5-(Hydroxymethyl)furfural and Anhydroglucose: Thermodynamic Insights

Article • The Journal of Physical Chemistry C, February 2012, American Chemical Society (ACS)

Dion Vlachos
A First Principles‐Based Microkinetic Model for the Conversion of Fructose to 5‐Hydroxymethylfurfural

Article • ChemCatChem, February 2012, Wiley

Dion Vlachos
Correction to Kinetic Modeling of Pt Catalyzed and Computation-Driven Catalyst Discovery for Ethylene Glycol Decomposition

Article • ACS Catalysis, January 2012, American Chemical Society (ACS)

Dion Vlachos
Adsorption of Acid, Ester, and Ether Functional Groups on Pt: Fast Prediction of Thermochemical Properties of Adsorbed Oxygenates via DFT-Based Group Additivity Methods

Article • The Journal of Physical Chemistry C, January 2012, American Chemical Society (ACS)

Dion Vlachos
Understanding solvent effects in the selective conversion of fructose to 5-hydroxymethyl-furfural: a molecular dynamics investigation

Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

Dion Vlachos
Synthesis of mesoporous silica nanobamboo with highly dispersed tungsten carbide nanoparticles

Article • Dalton Transactions, January 2012, Royal Society of Chemistry

Dion Vlachos
Revealing pyrolysis chemistry for biofuels production: Conversion of cellulose to furans and small oxygenates

Article • Energy & Environmental Science, January 2012, Royal Society of Chemistry

Dion Vlachos
Pyrolytic conversion of cellulose to fuels: levoglucosan deoxygenation via elimination and cyclization within molten biomass

Article • Energy & Environmental Science, January 2012, Royal Society of Chemistry

Dion Vlachos
A perspective on the modeling of biomass processing

Article • Energy & Environmental Science, January 2012, Royal Society of Chemistry

Professor Stanley I Sandler, Dion Vlachos
Top ten fundamental challenges of biomass pyrolysis for biofuels

Article • Energy & Environmental Science, January 2012, Royal Society of Chemistry

Dion Vlachos
The chain length effect in pyrolysis: bridging the gap between glucose and cellulose

Article • Green Chemistry, January 2012, Royal Society of Chemistry

Dion Vlachos
Synthesis of rigid and stable large-inner-diameter multiwalled carbon nanotubes

Article • RSC Advances, January 2012, Royal Society of Chemistry

Dion Vlachos
Low-cost small scale processing technologies for production applications in various environments—Mass produced factories

Article • Chemical Engineering and Processing - Process Intensification, January 2012, Elsevier

Dion Vlachos
Equivalence of on-lattice stochastic chemical kinetics with the well-mixed chemical master equation in the limit of fast diffusion

Article • Computers & Chemical Engineering, December 2011, Elsevier

Dion Vlachos
Ammonia decomposition activity on monolayer Ni supported on Ru, Pt and WC substrates

Article • Surface Science, December 2011, Elsevier

Dion Vlachos
Experimental studies on syngas catalytic combustion on Pt/Al2O3 in a microreactor

Article • Combustion and Flame, December 2011, Elsevier

Dion Vlachos
Predicting the adsorption behavior in bulk from metal clusters

Article • Chemical Physics Letters, December 2011, Elsevier

Dion Vlachos
Adsorption and Diffusion of Methanol, Glycerol, and Their Mixtures in a Metal Organic Framework

Article • Industrial & Engineering Chemistry Research, November 2011, American Chemical Society (ACS)

Dion Vlachos
First-Principles-Based Kinetic Monte Carlo Simulation of the Structure Sensitivity of the Water–Gas Shift Reaction on Platinum Surfaces

Article • The Journal of Physical Chemistry C, November 2011, American Chemical Society (ACS)

Dion Vlachos
Xylose Isomerization to Xylulose and its Dehydration to Furfural in Aqueous Media

Article • ACS Catalysis, November 2011, American Chemical Society (ACS)

Professor Stanley I Sandler, Dion Vlachos
Effect of oxide support surface area on hydrogenation activity: Pt/Ni bimetallic catalysts supported on low and high surface area Al2O3 and ZrO2

Article • Applied Catalysis A General, November 2011, Elsevier

Dion Vlachos
A review of multiscale modeling of metal-catalyzed reactions: Mechanism development for complexity and emergent behavior

Article • Chemical Engineering Science, October 2011, Elsevier

Dion Vlachos
Microkinetic modeling of the fast selective catalytic reduction of nitrogen oxide with ammonia on H-ZSM5 based on first principles

Article • Journal of Catalysis, October 2011, Elsevier

Dion Vlachos
A Combined DFT and Statistical Mechanics Study for the CO Oxidation on the Au10–1 Cluster

Article • The Journal of Physical Chemistry C, September 2011, American Chemical Society (ACS)

Dion Vlachos
Alcohol Adsorption onto Silicalite from Aqueous Solution

Article • The Journal of Physical Chemistry C, September 2011, American Chemical Society (ACS)

Professor Stanley I Sandler, Dion Vlachos
An Efficient Reaction Pathway Search Method Applied to the Decomposition of Glycerol on Platinum

Article • The Journal of Physical Chemistry C, September 2011, American Chemical Society (ACS)

Dion Vlachos
Kinetic Modeling of Pt Catalyzed and Computation-Driven Catalyst Discovery for Ethylene Glycol Decomposition

Article • ACS Catalysis, August 2011, American Chemical Society (ACS)

Dion Vlachos
Nanoscale Surface Pattern Evolution in Heteroepitaxial Bimetallic Films

Article • ACS Nano, August 2011, American Chemical Society (ACS)

Dion Vlachos
Hybrid Quantum Mechanics/Molecular Mechanics-Based Molecular Dynamics Simulation of Acid-Catalyzed Dehydration of Polyols in Liquid Water

Article • The Journal of Physical Chemistry A, July 2011, American Chemical Society (ACS)

Dion Vlachos
Effect of multiscale model uncertainty on identification of optimal catalyst properties

Article • Journal of Catalysis, July 2011, Elsevier

Dion Vlachos
A graph-theoretical kinetic Monte Carlo framework for on-lattice chemical kinetics

Article • The Journal of Chemical Physics, June 2011, American Institute of Physics

Dion Vlachos
Long-time integration methods for mesoscopic models of pattern-forming systems

Article • Journal of Computational Physics, June 2011, Elsevier

Dion Vlachos
Experimental and theoretical studies of ammonia decomposition activity on Fe-Pt, Co-Pt, and Cu-Pt bimetallic surfaces

Article • The Journal of Chemical Physics, May 2011, American Institute of Physics

Dion Vlachos
Differentiation of O–H and C–H Bond Scission Mechanisms of Ethylene Glycol on Pt and Ni/Pt Using Theory and Isotopic Labeling Experiments

Article • Journal of the American Chemical Society, April 2011, American Chemical Society (ACS)

Dion Vlachos
Converting fructose to 5-hydroxymethylfurfural: a quantum mechanics/molecular mechanics study of the mechanism and energetics

Article • Carbohydrate Research, April 2011, Elsevier

Dion Vlachos
Modeling the simultaneous oxidation of CO and H2 on Pt – Promoting effect of H2 on the CO-light-off

Article • Applied Catalysis A General, April 2011, Elsevier

Dion Vlachos
Enhancing stability in parallel plate microreactor stacks for syngas production

Article • Chemical Engineering Science, March 2011, Elsevier

Dion Vlachos
Computational-based catalyst design for thermochemical transformations

Article • MRS Bulletin, March 2011, Springer Science + Business Media

Dion Vlachos
Catalytic ignition and autothermal combustion of JP-8 and its surrogates over a Pt/γ-Al2O3 catalyst

Article • Proceedings of the Combustion Institute, January 2011, Elsevier

Dion Vlachos
Understanding mixing of Ni and Pt in the Ni/Pt(111) bimetallic catalyst via molecular simulation and experiments

Article • The Journal of Chemical Physics, December 2010, American Institute of Physics

Dion Vlachos
Density Functional Theory-Derived Group Additivity and Linear Scaling Methods for Prediction of Oxygenate Stability on Metal Catalysts: Adsorption of Open-Ring Alcohol and Polyol Dehydrogenation Intermediates on Pt-Based Metals

Article • The Journal of Physical Chemistry C, November 2010, American Chemical Society (ACS)

Dion Vlachos
High-Temperature Decomposition of Brønsted Acid Sites in Gallium-Substituted Zeolites

Article • The Journal of Physical Chemistry C, October 2010, American Chemical Society (ACS)

Dion Vlachos
Microkinetic modeling of spatially resolved autothermal CH4 catalytic partial oxidation experiments over Rh-coated foams

Article • Journal of Catalysis, October 2010, Elsevier

Dion Vlachos
Catalysis Center for Energy Innovation for Biomass Processing: Research Strategies and Goals

Article • Catalysis Letters, October 2010, Springer Science + Business Media

Dion Vlachos
Quantitative understanding of cell signaling: the importance of membrane organization

Article • Current Opinion in Biotechnology, October 2010, Elsevier

Dion Vlachos
What Controls Au Nanoparticle Dispersity during Growth?

Article • Nano Letters, August 2010, American Chemical Society (ACS)

Dion Vlachos
Microkinetic Modeling and Reduced Rate Expressions of Ethylene Hydrogenation and Ethane Hydrogenolysis on Platinum

Article • Industrial & Engineering Chemistry Research, June 2010, American Chemical Society (ACS)

Dion Vlachos
Scale-out of Microreactor Stacks for Portable and Distributed Processing: Coupling of Exothermic and Endothermic Processes for Syngas Production

Article • Industrial & Engineering Chemistry Research, June 2010, American Chemical Society (ACS)

Dion Vlachos
Correlating extent of Pt–Ni bond formation with low-temperature hydrogenation of benzene and 1,3-butadiene over supported Pt/Ni bimetallic catalysts

Article • Journal of Catalysis, May 2010, Elsevier

Dion Vlachos
Adaptive coarse-grained Monte Carlo simulation of reaction and diffusion dynamics in heterogeneous plasma membranes

Article • BMC Bioinformatics, April 2010, Springer Science + Business Media

Dion Vlachos
Using first principles to predict bimetallic catalysts for the ammonia decomposition reaction

Article • Nature Chemistry, April 2010, Springer Science + Business Media

Dion Vlachos
Hydrogenation of Ethylene and Dehydrogenation and Hydrogenolysis of Ethane on Pt(111) and Pt(211): A Density Functional Theory Study

Article • The Journal of Physical Chemistry C, February 2010, American Chemical Society (ACS)

Dion Vlachos
Identification of Descriptors for the CO Interaction with Metal Nanoparticles

Article • Nano Letters, February 2010, American Chemical Society (ACS)

Dion Vlachos
High throughput multiscale modeling for design of experiments, catalysts, and reactors: Application to hydrogen production from ammonia

Article • Chemical Engineering Science, January 2010, Elsevier

Dion Vlachos
Intensification of steam reforming of natural gas: Choosing combustible fuel and reforming catalyst

Article • Chemical Engineering Science, January 2010, Elsevier

Dion Vlachos
Parallelization of tau-leap coarse-grained Monte Carlo simulations on GPUs

Article • January 2010, Institute of Electrical & Electronics Engineers (IEEE)

Dion Vlachos
The roles of catalysis and reaction engineering in overcoming the energy and the environment crisis

Article • Chemical Engineering Science, January 2010, Elsevier

Dion Vlachos
High vs. low temperature reforming for hydrogen production via microtechnology

Article • Chemical Engineering Science, December 2009, Elsevier

Dion Vlachos
Catalytic Partial Oxidation Pilot Plant Study

Article • Industrial & Engineering Chemistry Research, November 2009, American Chemical Society (ACS)

Dion Vlachos
Correlating Particle Size and Shape of Supported Ru/γ-Al2O3 Catalysts with NH3 Decomposition Activity

Article • Journal of the American Chemical Society, August 2009, American Chemical Society (ACS)

Dion Vlachos
A Fast Approach to Predictive Models: NO-Oxidation in Exhaust Gas Aftertreatment Systems

Article • Topics in Catalysis, July 2009, Springer Science + Business Media

Dion Vlachos
Coupled Stochastic Spatial and Non-Spatial Simulations of ErbB1 Signaling Pathways Demonstrate the Importance of Spatial Organization in Signal Transduction

Article • PLoS ONE, July 2009, PLOS

Dion Vlachos
Dominant Reaction Pathways in the Catalytic Partial Oxidation of CH4 on Rh

Article • Topics in Catalysis, July 2009, Springer Science + Business Media

Dion Vlachos
Effect of heat recirculation on the self-sustained catalytic combustion of propane/air mixtures in a quartz reactor

Article • Combustion and Flame, May 2009, Elsevier

Dion Vlachos
Assessment of Overall Rate Expressions and Multiscale, Microkinetic Model Uniqueness via Experimental Data Injection: Ammonia Decomposition on Ru/γ-Al2O3 for Hydrogen Production

Article • Industrial & Engineering Chemistry Research, April 2009, American Chemical Society (ACS)

Dion Vlachos
Growth Mechanisms of Metal Nanoparticles via First Principles

Article • Physical Review Letters, April 2009, American Physical Society (APS)

Dion Vlachos
The Effects of the MgO Support and Alkali Doping on the CO Interaction with Au

Article • The Journal of Physical Chemistry C, April 2009, American Chemical Society (ACS)

Dion Vlachos
A C1 microkinetic model for methane conversion to syngas on Rh/Al2O3

Article • AIChE Journal, February 2009, Wiley

Dion Vlachos
Transport Phenomena in Microscale Reacting Flows

Article • February 2009, Wiley

Dion Vlachos
Microreactor Engineering: Processes, Detailed Design and Modeling

Article • January 2009, Wiley

Dion Vlachos
Controlling Homogeneous Chemistry in Homogeneous−Heterogeneous Reactors: Application to Propane Combustion

Article • Industrial & Engineering Chemistry Research, January 2009, American Chemical Society (ACS)

Dion Vlachos
Millisecond Production of Hydrogen from Alternative, High Hydrogen Density Fuels in a Cocurrent Multifunctional Microreactor

Article • Industrial & Engineering Chemistry Research, January 2009, American Chemical Society (ACS)

Dion Vlachos
Comparison of ignition strategies for catalytic microburners

Article • Proceedings of the Combustion Institute, January 2009, Elsevier

Dion Vlachos
Single channel and heat recirculation catalytic microburners: An experimental and computational fluid dynamics study

Article • Proceedings of the Combustion Institute, January 2009, Elsevier

Dion Vlachos
Methane steam reforming at microscales: Operation strategies for variable power output at millisecond contact times

Article • AIChE Journal, November 2008, Wiley

Dion Vlachos
Coarse-grained kinetic Monte Carlo models: Complex lattices, multicomponent systems, and homogenization at the stochastic level

Article • The Journal of Chemical Physics, November 2008, American Institute of Physics

Dion Vlachos
Temporal coarse-graining of microscopic-lattice kinetic Monte Carlo simulations viaτleaping

Article • Physical Review E, October 2008, American Physical Society (APS)

Dion Vlachos
Steam and dry reforming of methane on Rh: Microkinetic analysis and hierarchy of kinetic models

Article • Journal of Catalysis, October 2008, Elsevier

Dion Vlachos
Modeling Silica Nanoparticle Dissolution in TPAOH−TEOS−H 2 O Solutions

Article • The Journal of Physical Chemistry C, September 2008, American Chemical Society (ACS)

Professor John L Provis, Dion Vlachos
Stochastic simulations of ErbB homo and heterodimerisation: potential impacts of receptor conformational state and spatial segregation

Article • IET Systems Biology, September 2008, the Institution of Engineering and Technology (the IET)

Dion Vlachos
Thermodynamics of Silica Nanoparticle Self-Assembly in Basic Solutions of Monovalent Cations

Article • The Journal of Physical Chemistry C, August 2008, American Chemical Society (ACS)

Dion Vlachos
Millisecond Methane Steam Reforming Via Process and Catalyst Intensification

Article • Chemical Engineering & Technology, July 2008, Wiley

Dion Vlachos
Modeling Ignition in Catalytic Microreactors

Article • Chemical Engineering & Technology, July 2008, Wiley

Dion Vlachos
Multiscale Model and Informatics-Based Optimal Design of Experiments: Application to the Catalytic Decomposition of Ammonia on Ruthenium

Article • Industrial & Engineering Chemistry Research, July 2008, American Chemical Society (ACS)

Dion Vlachos
Insights into the Early Stages of Metal Nanoparticle Formation via First-Principle Calculations: the Roles of Citrate and Water

Article • Langmuir, June 2008, American Chemical Society (ACS)

Dion Vlachos
Two-dimensional detailed modeling of fuel-rich H2

Article • Chemical Engineering Science, May 2008, Elsevier

Dion Vlachos
Molecular dynamics of hydrogen dissociation on an oxygen covered Pt(111) surface

Article • The Journal of Chemical Physics, April 2008, American Institute of Physics

Dion Vlachos
A computational fluid dynamics study of propane/air microflame stability in a heat recirculation reactor

Article • Combustion and Flame, April 2008, Elsevier

Dion Vlachos
Portable power production from methanol in an integrated thermoeletric/microreactor system

Article • Journal of Power Sources, April 2008, Elsevier

Dion Vlachos
Microscopic Simulation of Membrane Molecule Diffusion on Corralled Membrane Surfaces

Article • Biophysical Journal, March 2008, Elsevier

Dion Vlachos
Stability and performance of catalytic microreactors: Simulations of propane catalytic combustion on Pt

Article • Chemical Engineering Science, February 2008, Elsevier

Dion Vlachos
Novel Mechanism for the Dissociation of H2O and the Diffusion of O and H along the aAl2O3 (0001) Surface

Article • January 2008, Institute of Electrical & Electronics Engineers (IEEE)

Dion Vlachos
Molecular Dynamics Study of the Stabilization of the Silica Hexamer Si6O156- in Aqueous and Methanolic Solutions

Article • The Journal of Physical Chemistry B, December 2007, American Chemical Society (ACS)

Dion Vlachos
Ab initio molecular dynamics of hydrogen dissociation on metal surfaces using neural networks and novelty sampling

Article • The Journal of Chemical Physics, October 2007, American Institute of Physics

Dion Vlachos
Systems tasks in nanotechnology via hierarchical multiscale modeling: Nanopattern formation in heteroepitaxy

Article • Chemical Engineering Science, September 2007, Elsevier

Dion Vlachos
The role of reaction engineering in cancer biology: Bio-imaging informatics reveals implications of the plasma membrane heterogeneities

Article • Chemical Engineering Science, September 2007, Elsevier

Dion Vlachos
Kinetic and Thermodynamic Studies of Silica Nanoparticle Dissolution

Article • Chemistry of Materials, July 2007, American Chemical Society (ACS)

Dion Vlachos
Continuum mesoscopic framework for multiple interacting species and processes on multiple site types and/or crystallographic planes

Article • The Journal of Chemical Physics, July 2007, American Institute of Physics

Dion Vlachos
A Catalytic Reaction Mechanism for Methane Partial Oxidation at Short Contact Times, Reforming, and Combustion, and for Oxygenate Decomposition and Oxidation on Platinum

Article • Industrial & Engineering Chemistry Research, July 2007, American Chemical Society (ACS)

Dion Vlachos
A reduced mechanism for methane and one-step rate expressions for fuel-lean catalytic combustion of small alkanes on noble metals

Article • Combustion and Flame, June 2007, Elsevier

Dion Vlachos
A hybrid multiscale Monte Carlo algorithm (HyMSMC) to cope with disparity in time scales and species populations in intracellular networks

Article • BMC Bioinformatics, May 2007, Springer Science + Business Media

Dion Vlachos
Nano-patterned standards for improving the quantitative capability of laser scanning confocal microscopy for materials characterization

Article • Microporous and Mesoporous Materials, May 2007, Elsevier

Dion Vlachos
Initial Stages of Self-Organization of Silica−Alumina Gels in Zeolite Synthesis

Article • Langmuir, March 2007, American Chemical Society (ACS)

Dion Vlachos
Quantitative analysis of membrane morphology, microstructure, and polycrystallinity via laser scanning confocal microscopy: Application to NaX zeolite membranes

Article • Journal of Membrane Science, March 2007, Elsevier

Dion Vlachos
An overview of spatial microscopic and accelerated kinetic Monte Carlo methods

Article • Journal of Computer-Aided Materials Design, February 2007, Springer Science + Business Media

Dion Vlachos
Self-Assembly and Phase Behavior of Germanium Oxide Nanoparticles in Basic Aqueous Solutions

Article • Langmuir, January 2007, American Chemical Society (ACS)

Dion Vlachos
Extending the region of stable homogeneous micro-combustion through forced unsteady operation

Article • Proceedings of the Combustion Institute, January 2007, Elsevier

Dion Vlachos
Kinetics of silicalite-1 crystallization

Article • January 2007, Elsevier

Dion Vlachos
Optimal reactor dimensions for homogeneous combustion in small channels

Article • Catalysis Today, January 2007, Elsevier

Dion Vlachos
Potential of Mean Force for Tetramethylammonium Binding to Cagelike Oligosilicates in Aqueous Solution

Article • Journal of the American Chemical Society, December 2006, American Chemical Society (ACS)

Dion Vlachos
Catalytic microcombustors with integrated thermoelectric elements for portable power production

Article • Journal of Power Sources, October 2006, Elsevier

Dion Vlachos
Hierarchical multiscale model-based design of experiments, catalysts, and reactors for fuel processing

Article • Computers & Chemical Engineering, September 2006, Elsevier

Dion Vlachos
Spatial modeling of dimerization reaction dynamics in the plasma membrane: Monte Carlo vs. continuum differential equations

Article • Biophysical Chemistry, June 2006, Elsevier

Dion Vlachos
Size and Shape Control of Co Nanoparticles With a Cluster Gun

Article • May 2006, Institute of Electrical & Electronics Engineers (IEEE)

Dion Vlachos
Silica Self‐Assembly and Synthesis of Microporous and Mesoporous Silicates

Article • Chemistry - A European Journal, March 2006, Wiley

Dion Vlachos
Understanding the differences between microporous and mesoporous synthesis through the phase behavior of silica

Article • Microporous and Mesoporous Materials, March 2006, Elsevier

Dion Vlachos
Multiscale spatial Monte Carlo simulations: Multigriding, computational singular perturbation, and hierarchical stochastic closures

Article • The Journal of Chemical Physics, February 2006, American Institute of Physics

Dion Vlachos
Dynamics of the Dissociation of Hydrogen on Stepped Platinum Surfaces Using the ReaxFF Reactive Force Field

Article • The Journal of Physical Chemistry B, February 2006, American Chemical Society (ACS)

Dr Adri van Duin, Dion Vlachos
Silica Nanoparticle Formation in the TPAOH−TEOS−H 2 O System: A Population Balance Model

Article • The Journal of Physical Chemistry, February 2006, American Chemical Society (ACS)

Professor John L Provis, Dion Vlachos
Hierarchical multiscale model-based design of experiments, catalysts, and reactors for fuel processing

Article • January 2006, Elsevier

Dion Vlachos
Temporal acceleration of spatially distributed kinetic Monte Carlo simulations

Article • Journal of Computational Physics, January 2006, Elsevier

Dion Vlachos
On the Role of Tetramethylammonium Cation and Effects of Solvent Dynamics on the Stability of the Cage-like Silicates Si6O156- and Si8O208- in Aqueous Solution. A M...

Article • Journal of the American Chemical Society, December 2005, American Chemical Society (ACS)

Dion Vlachos
Computational modeling reveals molecular details of epidermal growth factor binding

Article • BMC Cell Biology, November 2005, Springer Science + Business Media

Dion Vlachos
Thermal Management in Catalytic Microreactors

Article • Industrial & Engineering Chemistry Research, November 2005, American Chemical Society (ACS)

Dion Vlachos
The role of molecular interactions and interfaces in diffusion: Permeation through single-crystal and polycrystalline microporous membranes

Article • The Journal of Chemical Physics, November 2005, American Institute of Physics

Dion Vlachos
The role of molecular interactions and interfaces in diffusion: Transport diffusivity and evaluation of the Darken approximation

Article • The Journal of Chemical Physics, November 2005, American Institute of Physics

Dion Vlachos
Effect of flow configuration on the operation of coupled combustor/reformer microdevices for hydrogen production

Article • Chemical Engineering Science, November 2005, Elsevier

Dion Vlachos
Overcoming stiffness in stochastic simulation stemming from partial equilibrium: A multiscale Monte Carlo algorithm

Article • The Journal of Chemical Physics, October 2005, American Institute of Physics

Dion Vlachos
Novel micromixers driven by flow instabilities: Application to post‐reactors

Article • AIChE Journal, August 2005, Wiley

Dion Vlachos
Physical Basis for the Formation and Stability of Silica Nanoparticles in Basic Solutions of Monovalent Cations

Article • Langmuir, August 2005, American Chemical Society (ACS)

Dion Vlachos
Hierarchical Multiscale Mechanism Development for Methane Partial Oxidation and Reforming and for Thermal Decomposition of Oxygenates on Rh

Article • The Journal of Physical Chemistry B, August 2005, American Chemical Society (ACS)

Dion Vlachos
Hierarchical, multiscale surface reaction mechanism development: CO and H2 oxidation, water–gas shift, and preferential oxidation of CO on Rh

Article • Journal of Catalysis, August 2005, Elsevier

Dion Vlachos
A thermodynamically consistent surface reaction mechanism for CO oxidation on Pt

Article • Combustion and Flame, August 2005, Elsevier

Dion Vlachos
Is the water–gas shift reaction on Pt simple?

Article • Catalysis Today, July 2005, Elsevier

Dion Vlachos
Molecular valves actuated by intermolecular forces

Article • Physical Review E, June 2005, American Physical Society (APS)

Dion Vlachos
Evolution of Self-Assembled Silica−Tetrapropylammonium Nanoparticles at Elevated Temperatures

Article • The Journal of Physical Chemistry B, June 2005, American Chemical Society (ACS)

Dion Vlachos
Molecular sieve valves driven by adsorbate-adsorbate interactions: Hysteresis in permeation of microporous membranes

Article • The Journal of Chemical Physics, May 2005, American Institute of Physics

Dion Vlachos
Magnetic and transport properties of Co nanoparticles embedded in a carbon matrix

Article • Journal of Applied Physics, May 2005, American Institute of Physics

Dion Vlachos
Heterogeneities in EGF receptor density at the cell surface can lead to concave up scatchard plot of EGF binding

Article • FEBS Letters, May 2005, Wiley

Dion Vlachos
Formation and Structure of Self-Assembled Silica Nanoparticles in Basic Solutions of Organic and Inorganic Cations

Article • Langmuir, April 2005, American Chemical Society (ACS)

Dion Vlachos
Molecular Dynamics Studies on the Role of Tetramethylammonium Cations in the Stability of the Silica Octamers Si8 in Solution

Article • The Journal of Physical Chemistry B, April 2005, American Chemical Society (ACS)

Dion Vlachos
Net-event kinetic Monte Carlo for overcoming stiffness in spatially homogeneous and distributed systems

Article • Computers & Chemical Engineering, March 2005, Elsevier

Dion Vlachos
Spatially adaptive grand canonical ensemble Monte Carlo simulations

Article • Physical Review E, February 2005, American Physical Society (APS)

Dion Vlachos
Time accelerated Monte Carlo simulations of biological networks using the binomial -leap method

Article • Bioinformatics, February 2005, Oxford University Press (OUP)

Dion Vlachos
CFD Simulations of Coupled, Countercurrent Combustor/Reformer Microdevices for Hydrogen Production

Article • Industrial & Engineering Chemistry Research, January 2005, American Chemical Society (ACS)

Dion Vlachos
A Review of Multiscale Analysis: Examples from Systems Biology, Materials Engineering, and Other Fluid–Surface Interacting Systems

Article • January 2005, Elsevier

Dion Vlachos
Hydrogen assisted self-ignition of propane/air mixtures in catalytic microburners

Article • Proceedings of the Combustion Institute, January 2005, Elsevier

Dion Vlachos
Binomial distribution based τ-leap accelerated stochastic simulation

Article • The Journal of Chemical Physics, December 2004, American Institute of Physics

Dion Vlachos
Spatially adaptive lattice coarse-grained Monte Carlo simulations for diffusion of interacting molecules

Article • The Journal of Chemical Physics, December 2004, American Institute of Physics

Dion Vlachos
Combining simultaneous reflectance and fluorescence imaging with SEM for conclusive identification of polycrystalline features of MFI membranes

Article • Microporous and Mesoporous Materials, December 2004, Elsevier

Dion Vlachos
Zeolite (MFI) Crystal Morphology Control Using Organic Structure-Directing Agents

Article • Chemistry of Materials, November 2004, American Chemical Society (ACS)

Dion Vlachos
Mesoscopic modeling of chemical reactivity

Article • Chemical Engineering Science, November 2004, Elsevier

Dion Vlachos
First Principles Modeling of Dissociative Adsorption at Crystal Surfaces: Hydrogen on Pt(111)

Article • Molecular Simulation, September 2004, Taylor & Francis

Dion Vlachos
Microkinetic Modeling for Water-Promoted CO Oxidation, Water−Gas Shift, and Preferential Oxidation of CO on Pt

Article • The Journal of Physical Chemistry B, August 2004, American Chemical Society (ACS)

Dion Vlachos
Rational, Hierarchical Parameterization of Complex Zeolite-guest Molecular Models

Article • Molecular Simulation, August 2004, Taylor & Francis

Dion Vlachos
Spontaneous Formation of Silica Nanoparticles in Basic Solutions of Small Tetraalkylammonium Cations

Article • The Journal of Physical Chemistry B, July 2004, American Chemical Society (ACS)

Dion Vlachos
A CFD study of propane/air microflame stability

Article • Combustion and Flame, July 2004, Elsevier

Dion Vlachos
The Role of Adsorbate–Adsorbate Interactions in the Rate Controlling Step and the Most Abundant Reaction Intermediate of NH3Decomposition on Ru

Article • Catalysis Letters, July 2004, Springer Science + Business Media

Dion Vlachos
Multiscale hybrid modeling of film deposition within porous substrates

Article • AIChE Journal, March 2004, Wiley

Dion Vlachos
A new approach to response surface development for detailed gas‐phase and surface reaction kinetic model optimization

Article • International Journal of Chemical Kinetics, December 2003, Wiley

Dion Vlachos
Coarse-grained stochastic processes and kinetic Monte Carlo simulators for the diffusion of interacting particles

Article • The Journal of Chemical Physics, November 2003, American Institute of Physics

Dion Vlachos
Combustion characteristics and flame stability at the microscale: a CFD study of premixed methane/air mixtures

Article • Chemical Engineering Science, November 2003, Elsevier

Dion Vlachos
Periodic patterning in materials deposition by self-regulating diffusion-reaction processes

Article • Applied Physics Letters, May 2003, American Institute of Physics

Dion Vlachos
Physicochemical Characterization of Silicalite-1 Surface and Its Implications on Crystal Growth

Article • Langmuir, April 2003, American Chemical Society (ACS)

Dion Vlachos
Microstructural Optimization of a Zeolite Membrane for Organic Vapor Separation

Article • Science, April 2003, American Association for the Advancement of Science

Dion Vlachos
Coarse-grained stochastic processes and Monte Carlo simulations in lattice systems

Article • Journal of Computational Physics, March 2003, Elsevier

Dion Vlachos
Front propagation at low temperatures and multiscale modeling for the catalytic combustion of H2 on Pt

Article • Chemical Engineering Science, February 2003, Elsevier

Dion Vlachos
Mesoscopic modeling of transport and reaction in microporous crystalline membranes

Article • Chemical Engineering Science, February 2003, Elsevier

Dion Vlachos
Coarse-grained stochastic processes for microscopic lattice systems

Article • Proceedings of the National Academy of Sciences, January 2003, Proceedings of the National Academy of Sciences

Dion Vlachos
A C1 mechanism for methane oxidation on platinum

Article • Journal of Catalysis, January 2003, Elsevier

Dion Vlachos
Recent developments on multiscale, hierarchical modeling of chemical reactors

Article • Chemical Engineering Journal, November 2002, Elsevier

Dion Vlachos
The role of adsorbate-layer nonuniformities in catalytic reactor design: multiscale simulations for CO oxidation on Pt

Article • Computers & Chemical Engineering, August 2002, Elsevier

Dion Vlachos
Homogenization of mesoscopic theories: Effective properties of model membranes

Article • AIChE Journal, May 2002, Wiley

Dion Vlachos
Validation of mesoscopic theory and its application to computing concentration dependent diffusivities

Article • The Journal of Chemical Physics, December 2001, American Institute of Physics

Dion Vlachos
Monte Carlo Algorithms for Complex Surface Reaction Mechanisms: Efficiency and Accuracy

Article • Journal of Computational Physics, October 2001, Elsevier

Dion Vlachos
Spectral Methods for Mesoscopic Models of Pattern Formation

Article • Journal of Computational Physics, October 2001, Elsevier

Dion Vlachos
Growth of a faujasite-type zeolite membrane and its application in the separation of saturated/unsaturated hydrocarbon mixtures

Article • Journal of Membrane Science, March 2001, Elsevier

Dion Vlachos
Fluorescence confocal optical microscopy imaging of the grain boundary structure of zeolite MFI membranes made by secondary (seeded) growth

Article • Journal of Membrane Science, February 2001, Elsevier

Dion Vlachos
Simulations and experiments on the growth and microstructure of zeolite MFI films and membranes made by secondary growth

Article • Microporous and Mesoporous Materials, February 2001, Elsevier

Dion Vlachos
Spontaneous Formation of Periodically Patterned Deposits by Chemical Vapor Deposition

Article • Journal of the American Chemical Society, December 2000, American Chemical Society (ACS)

Dion Vlachos
Derivation and Validation of Mesoscopic Theories for Diffusion of Interacting Molecules

Article • Physical Review Letters, October 2000, American Physical Society (APS)

Dion Vlachos
Low-Dimensional Approximations of Multiscale Epitaxial Growth Models for Microstructure Control of Materials

Article • Journal of Computational Physics, May 2000, Elsevier

Dion Vlachos
Zeolite Growth by Addition of Subcolloidal Particles: Modeling and Experimental Validation

Article • Chemistry of Materials, February 2000, American Chemical Society (ACS)

Dion Vlachos
Bifurcations and structure of surface interacting methane–air diffusion flames

Article • Combustion and Flame, February 2000, Elsevier

Dion Vlachos
Complex dynamics of combustion flows by direct numerical simulations

Article • Physics of Fluids, February 2000, American Institute of Physics

Dion Vlachos
Effect of dilution on catalytic oxidation: model validation through experiments and predictions of operation regimes

Article • Chemical Engineering Science, July 1999, Elsevier

Dion Vlachos
The autothermal behavior of platinum catalyzed hydrogen oxidation: experiments and modeling

Article • Combustion and Flame, July 1999, Elsevier

Dion Vlachos
On the local stability of multiple solutions and oscillatory dynamics of spatially distributed flames

Article • Combustion and Flame, April 1999, Elsevier

Dion Vlachos
Isothermal Chain-Branching, Reaction Exothermicity, and Transport Interactions in the Stability of Methane/Air Mixtures*

Article • Combustion and Flame, July 1998, Elsevier

Dion Vlachos
Stochastic modeling of chemical microreactors with detailed kinetics—induction times and ignitions of H2 in air

Article • Chemical Engineering Science, January 1998, Elsevier

Dion Vlachos
Two-parameter continuation algorithms for sensitivity analysis, parametric dependence, reduced mechanisms, and stability criteria of ignition and extinction

Article • Combustion and Flame, January 1998, Elsevier

Dion Vlachos
Ignition of methane flames in oxygen near inert surfaces: Effects of composition, pressure, preheat, and residence time

Article • Combustion and Flame, August 1997, Elsevier

Dion Vlachos
Catalytic ignition and extinction of hydrogen: comparison of simulations and experiments

Article • Surface Science, September 1996, Elsevier

Dion Vlachos
Reduction of detailed kinetic mechanisms for ignition and extinction of premixed hydrogen/air flames

Article • Chemical Engineering Science, August 1996, Elsevier

Dion Vlachos
Homogeneous ignition of hydrogen-air mixtures over platinum

Article • Symposium (International) on Combustion, January 1996, Elsevier

Dion Vlachos
Growth of elongated nanostructures

Article • Materials Science and Engineering A, December 1995, Elsevier

Dion Vlachos
Bifurcation Behavior of Premixed Hydrogen/Air Mixtures in a Continuous Stirred Tank Reactor

Article • Combustion Science and Technology, November 1995, Taylor & Francis

Dion Vlachos
The interplay of transport, kinetics, and thermal interactions in the stability of premixed hydrogen/air flames near surfaces

Article • Combustion and Flame, October 1995, Elsevier

Dion Vlachos
Ignition and extinction of flames near surfaces: Combustion of H2 in air

Article • Combustion and Flame, November 1993, Elsevier

Dion Vlachos
Comparison of small metal clusters: Ni, Pd, Pt, Cu, Ag, Au

Article • Zeitschrift für Physik D, March 1993, Springer Science + Business Media

Dion Vlachos
Kinetics of faceting of crystals in growth, etching, and equilibrium

Article • March 1993, American Physical Society (APS)

Dion Vlachos
Spatial and temporal patterns in catalytic oscillations

Article • Physica A Statistical Mechanics and its Applications, September 1992, Elsevier

Dion Vlachos
Structure of small catalyst particles

Article • Chemical Engineering Science, June 1992, Elsevier

Dion Vlachos
The roles of supersaturation, terrace width, and impurities on the formation of macrosteps on crystal surfaces using the terrace-ledge-kink model

Article • Surface Science, February 1992, Elsevier

Dion Vlachos
The effect of phase transitions, surface diffusion, and defects on heterogeneous reactions: multiplicities and fluctuations

Article • Surface Science, June 1991, Elsevier

Dion Vlachos

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