David S. Sholl
- Citation name:
Sholl, D. S.
- Affiliation:
Georgia Institute of Technology
- State:
GA
- Country:
USA
Sessions chaired or co-chaired:
Plenary Session: Computational Molecular Science and Engineering Forum
2017 Spring Meeting and 13th Global Congress on Process Safety (ISBN: 978-0-8169-1098-4)
Poster Session: Computational Molecular Science and Engineering Forum (CoMSEF)
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
Process Intensification Keynote
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
Authored:
(510a) The Degradation Mechanism of MOFs during Acid Gas Exposure: An Experimental and Computational Study
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(510c) Facet-Specific Stability of ZIF-8 in the Presence of Acid Gases
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(129g) Effect of Acid Gas Interactions on the Structure and Porosity of ZIF-8
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(369d) Screening of Copper Open Metal Site MOFs for Olefin/Paraffin Separations Using DFT Derived Force Fields
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(595a) Progress Towards Ultra-Fast Screening of Porous Sorbents for Chemical Separations
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(675d) Acid Gas Adsorption on Metal–Organic Framework Nanosheets As a Model of an “All-Surface” Material
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(757c) Heat-Treatment of Defective Uio-66 from Modulated Synthesis:Adsorption and Stability Studies
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(345f) Oriented Growth of Mg2(dobpdc) on Honey-Comb Monolith for CO2 Capture
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(628f) Thermal Modulation in High-Capacity Pressure-Swing Adsorption Via Incorporation of Microencapsulated Phase-Change Material
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(757b) Towards a Generalized Understanding of Acid Gas Interactions with ZIF Materials
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(739f) Butanol Separation from Multicomponent Vapor Mixtures Using Zeolitic Imidazolate Frameworks
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(532a) How Reliable Are Isotherm Measurements in Metal-Organic Frameworks?
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(739b) Understanding CO2 in MOF-74: Dynamics and Structure of Adsorbed CO2 with 13C NMR and DFT
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(757e) Understanding Structure, Metal Distribution, and Water Adsorption in Mixed-Metal MOF-74
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(629c) First Principles Derived, Transferable Force Fields for CO2 Adsorption in Cation-Exchanged Zeolites
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(708a) Control of Metal-Organic Framework Crystal Structure By Ligand Functionalization: Functionalized HKUST-1 Derivatives
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(687b) Thermodynamic Stability of Hypothetical ZIF-8 Polymorphs Using Molecular Simulations
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(731g) Vacuum-Assisted Ion Exchange of Zeolite Membranes
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(603f) Insights Into Mechanism of Syngas Reaction On Mo2C Catalysts --- Identifying “Descriptor” Elementary Steps for Complex Reaction Systems
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(785a) Quantitative Computational Screening of Pd-Based Intermetallic Membranes for Hydrogen Separation
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(520c) The Effect of Intrinsic Framework Flexibility on Adsorption Properties in Metal-Organic Frameworks: A Computational Exploration
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(674g) Computational Screening of Metal-Organic Frameworks for Adsorption of Organophosphate Chemical Warfare Agents
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(739d) In silico Prediction of Structural Properties of Racemic Porous Organic Cage Crystals
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(572c) First-Principles-Derived Force Fields for CH4 Adsorption and Diffusion in Siliceous Zeolites
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(10b) A Database of 2D Zeolite Nanosheets: Development and Applications in High Throughput Separations Screening
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(260d) The Effect of Aluminum Ordering on Carbon Dioxide Adsorption in Zeolites
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(189cp) Screening of Nano Porous Materials for Large-Scale Molecular Separations
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(612c) Process Analysis of Amine-Functionalized Adsorbents for CO2 Capture Applications
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(532b) Competitive Binding of Ethylene, Water, and Carbon Monoxide in Metal-Organic Framework Materials with Open Cu Sites
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(219b) Hierarchical Bayesian Estimation for Adsorption Isotherm Parameter Determination and Applications to CO2 capture
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(293a) Controlled Demolition and Reconstruction of Zeolitic Imidazolate Frameworks Via Solvent Assisted Crystal Redemption (SACRed)
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(674b) Towards a Generalized Understanding of the Acid Gas Stability of Zeolitic Imidazolate Frameworks (ZIFs)
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(197n) Computational Model of Defect Propagation Mechanisms in ZIF-8
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(189cl) Prediction of Hg0 and HgCl2 Adsorption Properties in UiO-66 Using Optimized Force-Fields
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(11c) High Swing Capacity MIL-101(Cr) Fiber Sorbents for Sub-Ambient CO2 Capture Via RCPSA
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(641a) Enhancement of Adsorbed Natural Gas Storage in Defect-Engineered MOFs during Long-Term Cycling
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)