Highly Selective Zeolite Topologies for Flue Gas Separation

Comparing gas separation performance between all known zeolites and their zeolitic imidazolate framework counterparts

(2016) Paula Gómez-Álvarez et al.   DALTON TRANSACTIONS

RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials

(2015) David Dubbeldam et al.   MOLECULAR SIMULATION

Transferable force fields for adsorption of small gases in zeolites

(2015) A. Martin-Calvo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Insights on the Anomalous Adsorption of Carbon Dioxide in LTA Zeolites

(2014) A. Martin-Calvo et al.   Journal of Physical Chemistry C

On the inner workings of Monte Carlo codes

(2013) David Dubbeldam et al.   MOLECULAR SIMULATION

Cost-effective CO2 capture based on in silico screening of zeolites and process optimization

(2013) M. M. Faruque Hasan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Influence of Zeolite Topology on CO2/N2 Separation Behavior: Force-Field Simulations Using a DFT-Derived Charge Model

(2012) Michael Fischer et al.   Journal of Physical Chemistry C

In silico screening of carbon-capture materials

(2012) Li-Chiang Lin et al.   NATURE MATERIALS

Development and Evaluation of Porous Materials for Carbon Dioxide Separation and Capture

(2011) Youn-Sang Bae et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Algorithms and tools for high-throughput geometry-based analysis of crystalline porous materials

(2011) Thomas F. Willems et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Transferable Force Field for Carbon Dioxide Adsorption in Zeolites

(2009) Almudena García-Sánchez et al.   Journal of Physical Chemistry C

Screening of Metal−Organic Frameworks for Carbon Dioxide Capture from Flue Gas Using a Combined Experimental and Modeling Approach

(2009) A. Özgür Yazaydın et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Investigation of a Mercury Speciation Technique for Flue Gas Desulfurization Materials

(2009) Joo-Youp Lee et al.   JOURNAL OF THE AIR & WASTE MANAGEMENT ASSOCIATION

Reducing the Cost of CO2Capture from Flue Gases Using Pressure Swing Adsorption

(2008) Minh T. Ho et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Progress in carbon dioxide separation and capture: A review

(2008) Hongqun Yang et al.   JOURNAL OF ENVIRONMENTAL SCIENCES

Effect of process parameters on power requirements of vacuum swing adsorption technology for CO2 capture from flue gas

(2007) Jun Zhang et al.   ENERGY CONVERSION AND MANAGEMENT