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Materials Chemistry

Working Paper

Phase Transformations in MOFs Induced by Adsorbate Exchange

Alexander Neimark, Nicholas Corrente, François-Xavier Coudert

Version 1 posted 19 November 2024

138

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Chemical Engineering and Industrial Chemistry

Working Paper

Modeling Hydrocarbons Adsorption in Amorphous Nanoporous Carbonaceous Materials

Nicholas Corrente, Elizabeth Hinks, Aastha Kasera, Raleigh Gough, Peter Ravikovitch, Alexander Neimark

Version 1 posted 26 May 2022

335

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Chemical Engineering and Industrial Chemistry

Working Paper

Development and application of an advanced percolation model for pore network characterization by physical adsorption

Jakob Söllner, Alexander Neimark, Matthias Thommes

Version 3 posted 23 July 2024

663

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Theoretical and Computational Chemistry

Working Paper

Understanding the Origins of Reversible and Hysteretic Pathways of Adsorption Phase Transitions by Mesocanonical Ensemble Monte Carlo Simulations

Shivam Parashar, Alexander V. Neimark

Version 1 posted 26 December 2023

208

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Nanoscience

Working Paper

Quasi-continuous cooperative adsorption mechanism in crystalline nanoporous materials

Bartosz Mazur, Filip Formalik, Kornel Roztocki, Volodymyr Bon, Stefan Kaskel, Alexander V. Neimark, Lucyna Firlej, Bogdan Kuchta

Version 1 posted 06 June 2022

263

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Chemical Engineering and Industrial Chemistry

Working Paper

Deformation of Nanoporous Carbons Induced By Multicomponent Adsorption: Insight from the SAFT-DFT Model

Nicholas J. Corrente, Elizabeth L. Hinks, Aastha Kasera, Alexander V. Neimark

Version 1 posted 22 December 2023

179

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Theoretical and Computational Chemistry

Working Paper

Pore Structure Compartmentalization for Advanced Characterization of Metal-Organic Framework Materials

Shivam Parashar, Alexander V. Neimark

Version 2 posted 22 November 2023

356

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Theoretical and Computational Chemistry

Review

From Slit Pores to 3D Frameworks: Advances in Molecular Modeling of Adsorption in Nanoporous Carbons

Nicholas Corrente, Alexander Neimark

Version 1 posted 24 December 2024

15

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Theoretical and Computational Chemistry

Working Paper

Unveiling Non-Monotonic Deformation of Flexible MOFs during Gas Adsorption: From Contraction and Softening to Expansion and Hardening

Shivam Parashar, Nicholas J. Corrente, Alexander V. Neimark

Version 2 posted 25 October 2024

310

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Theoretical and Computational Chemistry

Working Paper

Modeling Structural Flexibility in 3D Carbon Models: A Hybrid MC/MD Approach to Adsorption-Induced Deformation

Nicholas Corrente, Shivam Parashar, Raleigh Gough, Elizabeth Hinks, Peter Ravikovitch, Alexander Neimark

Version 1 posted 16 December 2024

55

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Refine Search

10 results in Alexander Neimark in Authors: Alexander Neimark

Phase Transformations in MOFs Induced by Adsorbate Exchange

Modeling Hydrocarbons Adsorption in Amorphous Nanoporous Carbonaceous Materials

Development and application of an advanced percolation model for pore network characterization by physical adsorption

Understanding the Origins of Reversible and Hysteretic Pathways of Adsorption Phase Transitions by Mesocanonical Ensemble Monte Carlo Simulations

Quasi-continuous cooperative adsorption mechanism in crystalline nanoporous materials

Deformation of Nanoporous Carbons Induced By Multicomponent Adsorption: Insight from the SAFT-DFT Model

Pore Structure Compartmentalization for Advanced Characterization of Metal-Organic Framework Materials

From Slit Pores to 3D Frameworks: Advances in Molecular Modeling of Adsorption in Nanoporous Carbons

Unveiling Non-Monotonic Deformation of Flexible MOFs during Gas Adsorption: From Contraction and Softening to Expansion and Hardening

Modeling Structural Flexibility in 3D Carbon Models: A Hybrid MC/MD Approach to Adsorption-Induced Deformation

10 results in Authors: Alexander Neimark