Schneider, W.

Authored

(335f) Decoupling Plasma-Catalytic Interactions through Plasma-Temperature Programmed N2 Reduction and Oxidation Reactions
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(689c) Influence of N,N,N-Trimethyl-1-Adamantyl Ammonium on Al and Defect Siting Energetics and Implications for Accessible Si/Al Ratios in CHA
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(674c) Adsorbate Induced Restructuring of Pt Nanoparticle and Resultant Kinetics for Catalytic Ammonia Oxidation
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(698d) DFT Analysis of Speciation and Stability of Surface-Bound Nitrogen Species Under N2 Plasma Exposure
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(690h) Presence of Multiple Types of Cu Active Sites and Their Connections to Framework Composition and Methane Oxidation Reactivity in Cu-CHA
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(674a) Mechanistic and Structural Transformations of Pt/Al2O3 Catalysts during NH3 oxidation for NH3 Slip Applications
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(532du) Analysis and Augmentation of Guest-Host Interaction Energy Models As CHA and AEI Zeolite Crystallization Phase Predictors
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(179c) A Parameterization Strategy for Coverage-Dependent DFT-Based Microkinetic Modeling of Surface Catalytic Reactions
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(356j) Sensitivity of Ethylene Oligomerization Rates and Selectivities to the Nature of Metal Ion on Siliceous Supports By First Principles and Microkinetic Interrogation
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(44h) Interrogation of Alkaline Earth Ion Exchange and CO Vibrational Spectroscopy As Reporters of Al Proximity in CHA Zeolites
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(43a) First Principles Based Microkinetic Interrogation of Ethylene Oligomerization and Hydrogenation Potential of Transition Metal Ions Supported on Silica
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(228h) Evolution of Framework Al Arrangements in CHA Zeolites during Crystallization in the Presence of Organic and Inorganic Structure-Directing Agents
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(349ag) A Kinetic Modelling Strategy for Interrogating NOx Selective Catalytic Reduction on Cu-Exchanged Zeolites
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(145d) Plasma-Assisted Catalytic Approaches for the Production of Chemicals
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(583b) Combining Ab Initio and Classical Molecular Dynamics Simulations to Predict the Implication of Charged Osdas on of Al Siting Preferences in CHA.
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(602e) Effects of Framework Al Density in Chabazite Zeolites on Cu Ion Mobility and the Kinetics of NOx Selective Catalytic Reduction with NH3
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(580e) Quantitative Connections between Copper Site Proximity and Binuclear Active Sites for Partial Methane Oxidation to Methanol in Cu-CHA Zeolites
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(145e) Models and Observations of Plasma-Catalytic Nitrogen Oxidation
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(265c) Performance Appraisal of Coverage-Explicit Mean-Field Microkinetic Modelling Strategies
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(107c) Synthetic and Post-Synthetic Methods to Alter Al-Al Site Pair Arrangements in Zeolites
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(574d) Interrogation of Single-Site, Oxide-Supported Metal Hydrides for Ethylene Oligomerization By Density Functional Theory
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(580c) Characterization and Analysis of Ring Topology of Zeolite Frameworks
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(378e) Computational Characterization and Screening of Metal Phosphidesfor Ethane Dehydrogenation
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(758d) DFT Investigations for the Influence of the Framework Topology in Cu2+ Exchange and Siting Preference in Zeolites
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(631d) Comparison of Explicit and Implicit Representations of Coverage Dependence on the Microkinetics of Catalytic Reactions
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(740b) Computational Investigation of the Metal Phosphide Chemistry for Ethane Dehydrogenation Catalyst
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(677e) Influence of Active Site Density and Arrangement on the Kinetics of NOx Selective Catalytic Reduction with NH3 over Cu-CHA Zeolites
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(513fm) Enhancing Potential of Catalysts for Plasma Nitrogen Oxidation
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(628a) Effects of Cu-Zeolite Pore Size, Shape, and Connectivity on the Selective Catalytic Reduction of NOx with NH­3
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(81d) Influence of Zeolite Framework on Cu Ion Mobility and the Kinetics of Selective Catalytic Reduction of Nitrogen Oxides with Ammonia
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(36d) Influence of Al-Al Proximity on Metal Ion Exchange in SSZ-13 Zeolite and Strategies to Characterize and Control It
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(196d) First-Principles Investigation of Cu Ion Exchange and Siting Preference in FER Zeolite
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(560dt) Effects of P and Metal Composition on the Performance of Mono- and Bimetallic Phosphides for Light Alkane Dehydrogenation
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(506f) Towards Understanding Plasma-Assisted Catalytic Enhancement of Ammonia Synthesis over Supported Metal Catalysts
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(632b) Spectroscopic and Kinetic Assessment of Brønsted Acid Site Proximity in Chabazite Zeolites
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(762e) Influence of Zeolite Framework on Cu Ion Mobility and the Kinetics of Low Temperature NOX Selective Catalytic Reduction
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(560dr) Assessing the Role of Zr-Al Interactions in Oxide-Grafted Zr Precursors for Ethylene Oligomerization Reactions
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(101d) Cooperation and Competition between Organic and Inorganic Structure Directing Agents Influences the Aluminum Arrangement in CHA Zeolites
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(506a) Nitrogen Activation Under Non-Thermal Stimulation
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(143h) Selectivity in Multiple Guises: DFT and Microkinetic Models of NH3 Catalytic Oxidation
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(762f) Spectroscopic and Kinetic Responses of Cu-SSZ-13 to SO2 Exposure and Implications for NOx Selective Catalytic Reduction
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(732a) Accurate Adsorbate Free Energies from First-Principles
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(327c) DFT and Microkinetic Comparison of Pt, Pd and Rh(111) for Catalytic Ammonia Oxidation
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(269d) Overcoming Ammonia Synthesis Scaling Relations with Plasma-Enabled Catalysis
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(501e) First-Principles Development of Al Proximity Titration Strategy for SSZ-13 Zeolite through Comparison of Divalent Metal Cation Exchange Energy Landscapes
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(446f) Synthesis Methods to Influence Framework Al Arrangements in CHA Zeolites and Consequences for NOx Selective Catalytic Reduction
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(189j) Challenges and Strategies of Modeling Extra-Framework Metal Cations in Zeolites from First-Principles: Knowledge Learned from Cationic Iron Exchanged in SSZ-13
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(380c) Kinetic Study of the Reduction and Oxidation Half-Cycles during Selective Catalytic Reduction of NOx with Ammonia on Cu-SSZ-13
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(694a) Selective C?H Bond Activation of Light Alkane Using Metal Phosphide Catalysts
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(269g) Determination of H2O-Solvated Cationic Fe(III) Coordination Geometry in Fe-SSZ-13 Using Wavefunction Coupled-Cluster Parameterized Hybrid Density Functional Theory
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

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