Zeolite membranes–a review and comparison with MOFs
The latest developments in zeolite membranes are reviewed, with an emphasis on the
synthesis techniques, including seed assembly and secondary growth methods. This review …
synthesis techniques, including seed assembly and secondary growth methods. This review …
Commensurate adsorption of hydrocarbons and alcohols in microporous metal organic frameworks
1.1. Background and History Commensurate adsorption is an interesting and important
phenomenon occurring during adsorption processes, where the molecular size and shape …
phenomenon occurring during adsorption processes, where the molecular size and shape …
Evaluating metal–organic frameworks for post-combustion carbon dioxide capture via temperature swing adsorption
Two representative metal–organic frameworks, Zn4O (BTB) 2 (BTB3−= 1, 3, 5-
benzenetribenzoate; MOF-177) and Mg2 (dobdc)(dobdc4−= 1, 4-dioxido-2, 5 …
benzenetribenzoate; MOF-177) and Mg2 (dobdc)(dobdc4−= 1, 4-dioxido-2, 5 …
Separation of hexane isomers in a metal-organic framework with triangular channels
ZR Herm, BM Wiers, JA Mason, JM van Baten… - Science, 2013 - science.org
Metal-organic frameworks can offer pore geometries that are not available in zeolites or
other porous media, facilitating distinct types of shape-based molecular separations. Here …
other porous media, facilitating distinct types of shape-based molecular separations. Here …
[图书][B] Molecular modelling: principles and applications
AR Leach - 2001 - books.google.com
This book provides a detailed description of the techniques employed in molecular modeling
and computational chemistry. The first part of the book covers the two major methods used to …
and computational chemistry. The first part of the book covers the two major methods used to …
On the inner workings of Monte Carlo codes
D Dubbeldam, A Torres-Knoop, KS Walton - Molecular Simulation, 2013 - Taylor & Francis
We review state-of-the-art Monte Carlo (MC) techniques for computing fluid coexistence
properties (Gibbs simulations) and adsorption simulations in nanoporous materials such as …
properties (Gibbs simulations) and adsorption simulations in nanoporous materials such as …
Enhanced carbon dioxide capture upon incorporation of N, N′-dimethylethylenediamine in the metal–organic framework CuBTTri
High capacity, high selectivity, and low-cost regeneration conditions are the most important
criteria by which new adsorbents for post-combustion carbon dioxide capture will be judged …
criteria by which new adsorbents for post-combustion carbon dioxide capture will be judged …
Diffusion in zeolites
The dynamic properties of adsorbed molecules play a central role in reactions and
separations that take place within the cavities of zeolites and other shape-selective …
separations that take place within the cavities of zeolites and other shape-selective …
Novel configurational-bias Monte Carlo method for branched molecules. Transferable potentials for phase equilibria. 2. United-atom description of branched alkanes
MG Martin, JI Siepmann - The Journal of Physical Chemistry B, 1999 - ACS Publications
A new generalization of the configurational-bias Monte Carlo method is presented which
avoids the problems inherent in a Boltzmann rejection scheme for sequentially generating …
avoids the problems inherent in a Boltzmann rejection scheme for sequentially generating …
[图书][B] Catalysis: concepts and green applications
G Rothenberg - 2017 - books.google.com
This introductory textbook covers all aspects of catalysis. It also bridges computational
methods, industrial applications and green chemistry, with over 600 references. The book is …
methods, industrial applications and green chemistry, with over 600 references. The book is …