Copertina

Mixtures of Ethane with CO$_2$ and Water Simulated in ZSM-22: The Role of Polarity and Hydrogen Bonding

Fuente: arXiv

Salvato in:

Dettagli Bibliografici
Autori principali:	Kummali, Mohammed Musthafa, Cole, David, Gautam, Siddharth
Natura:	Preprint
Pubblicazione:	2024
Soggetti:	Chemical Physics Materials Science
Accesso online:	Acceder al recurso
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

Documenti analoghi

Simulation of hydrogen adsorption in hierarchical silicalite: Role of electrostatics and surface chemistry
di: Gautam, Siddharth, et al.
Pubblicazione: (2024)

Rapidly Screening the Correlation Between the Rotational Mobility and the Hydrogen Bonding Strength of Confined Water
di: Beaton, Alec A., et al.
Pubblicazione: (2023)

Thermodynamic Stability and Hydrogen Bonds in Mixed Halide Perovskites
di: Camayo-Gutierrez, Liz, et al.
Pubblicazione: (2026)

Ultrafast Processes in Isomeric Pyrene-N-methylacetamides: Formation of Hydrogen Bond Induced Static Excimers with Varied Coupling Strength
di: Basuroy, Krishnayan, et al.
Pubblicazione: (2021)

Ca-dimers, solvent layering, and dominant electrochemically active species in Ca(BH$_4$)$_2$ in THF
di: Matias, Ana Sanz, et al.
Pubblicazione: (2023)

Real-Time Coupled Electron-Nuclear Dynamics of Chemical Bond Formation: Hydrogen Scattering from a Semiconductor Surface
di: Shi, Jialong, et al.
Pubblicazione: (2025)

Gas-solid Reaction Dynamics on Li$_6$PS$_5$Cl Surfaces: A Case Study of the Influence of CO$_2$ and CO$_2$/O$_2$ Atmospheres Using AIMD and MLFF Simulations
di: Li, Zicun, et al.
Pubblicazione: (2025)

Third-Body Stabilization of Supercritical CO2 in CO Oxidation: Development and Application of a ReaxFF Force Field for the CO/O/CO2 System
di: Chowdhury, Emdadul Haque, et al.
Pubblicazione: (2025)

Scattering of CO from Vacant-MoSe$_2$ with O Adsorbates: Is CO$_2$ Formed?
di: Bombín, Raúl, et al.
Pubblicazione: (2024)

The Wetting of H$_2$O by CO$_2$
di: Brookes, Samuel G. H., et al.
Pubblicazione: (2024)

Monitorization of the H-O Bond Flexibility
di: Sun, Chang Q
Pubblicazione: (2025)

A combined statistical mechanical and ab initio approach to understanding H2O/CO2 co-adsorption in mmen-Mg2(dobpdc)
di: Owens, Jonathan R., et al.
Pubblicazione: (2025)

Microheterogeneity and Single-Molecule Mixture Science: An Introduction
di: Tang, Yu
Pubblicazione: (2024)

Atomistic Simulations of Oxide-Water Interfaces using Machine Learning Potentials
di: Elsner, Jan, et al.
Pubblicazione: (2025)

CO$_2$ Dissociative Sticking on Cu(110)
di: Gonzalez, Federico J., et al.
Pubblicazione: (2025)

Unsupervised learning of representative local atomic arrangements in molecular dynamics data
di: Roncoroni, Fabrice, et al.
Pubblicazione: (2023)

Exploring the Convergence and Properties of Intrinsic Bond Orbitals in Solids
di: Wöckinger, Benjamin, et al.
Pubblicazione: (2024)

Insights into $CO_{2}$ activation on defective ZnS surfaces
di: de Oliveira, P. R. A, et al.
Pubblicazione: (2026)

Solid Solubility in Metallic Hydrogen
di: Seeyangnok, Jakkapat, et al.
Pubblicazione: (2024)

Machine Learning, Density Functional Theory, and Experiments to Understand the Photocatalytic Reduction of CO$_2$ by CuPt/TiO$_2$
di: Sumaria, Vaidish, et al.
Pubblicazione: (2024)

Chemical Origins of Non-Bonded Interactions Within and Between Solids
di: Robinson, Paul J., et al.
Pubblicazione: (2026)

Surface adsorption at the thermodynamic limit using periodic DLPNO-MP2 theory: A study of CO on MgO at dilute and dense coverages
di: Zhu, Andrew, et al.
Pubblicazione: (2025)

Mechanistic Insights into Water-Splitting, Proton Migration, and Hydrogen Evolution Reaction in g-C3N4/TiO2-B and Li-F co-doped Heterostructures
di: Tang, Shuhan, et al.
Pubblicazione: (2025)

Elucidating Ion Capture and Transport Mechanisms of Preyssler Anions in Aqueous Solutions Using Biased MACE-Accelerated MD Simulations
di: Adewuyi, Quadri O., et al.
Pubblicazione: (2025)

Polyurethane-Inspired CO2 Chemisorbent: Ab Initio Reaction Profiles
di: Chaban, Vitaly V.
Pubblicazione: (2025)

Advancing C-C Coupling of Electrocatalytic CO2 Reduction Reaction for C2+ Products
di: Liang, Guangyuan, et al.
Pubblicazione: (2025)

Molecular Dynamics Simulations of $γ$-Belite(010)-Water Interfaces with High-Dimensional Neural Network Potentials
di: Prus, Bernadeta, et al.
Pubblicazione: (2025)

Automatic Identification of Compounds in Molecular Mixtures from Liquid-Phase Infrared Spectra
di: Melle, Yannah J. U., et al.
Pubblicazione: (2026)

Tritium Separation from Gaseous 1,2,3H Isotopologue Mixtures by Selective Adsorption on Ag-Exchanged Zeolite Type Y
di: Becker, Alexandra, et al.
Pubblicazione: (2025)

Demonstrating Electrochemical CO$_2$ Capture on Redox-Active Metal-Organic Frameworks
di: Vetik, Iuliia, et al.
Pubblicazione: (2024)

Impact of Subsurface Oxygen on CO2 Charging Energy Changes in Cu Surfaces
di: Lei, Xiaohe, et al.
Pubblicazione: (2024)

SITH: A Quantum-Chemical Framework for Predicting Bond Destabilization in Stretched Molecules
di: Sucerquia, Daniel, et al.
Pubblicazione: (2026)

Enhanced Hydrogen Evolution Using $β$-MnO$_2$ Monolayer on Ni Electrode with Engineered Oxygen Vacancies
di: Rahman, Faysal, et al.
Pubblicazione: (2025)

Hydrogen peroxide electrogeneration from O2 electroreduction: a review focusing on carbon electrocatalysts and environmental applications
di: Trench, Aline B., et al.
Pubblicazione: (2025)

Slide and Twist: Manipulating Polarization in Multilayer Hexagonal Boron-Nitride
di: Vizcaya, Sanber, et al.
Pubblicazione: (2025)

On the electrochemical CO2 reduction by Bi-based catalysts: single crystals or mixture phases
di: Zhou, Mengting, et al.
Pubblicazione: (2024)

Photocatalytic CO2 Reduction Enhanced by Synergetic Interactions among Photon Phonon and Molecule
di: Sun, Chen, et al.
Pubblicazione: (2025)

Rethinking cryptophane A for methane gas sensing: cross sensitivity to N2 and CO2 at ambient conditions
di: Alberti, Sebastián, et al.
Pubblicazione: (2025)

Spin-polarized chiral ZnIn2S4 for targeted solar-driven CO2 reduction to acetic acid
di: Cui, Yongping, et al.
Pubblicazione: (2025)

Hydrogen peroxide electrosynthesis: A comparative study employing Vulcan carbon modification by different MnO2 nanostructures
di: Moura, João Paulo C, et al.
Pubblicazione: (2025)