Related references
Note: Only part of the references are listed.Efficient Application of Continuous Fractional Component Monte Carlo in the Reaction Ensemble
Ali Poursaeidesfahani et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)
Reaction Ensemble Monte Carlo Simulation of Xylene lsomerization in Bulk Phases and under Confinement
Ryan Gotchy Mullen et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)
RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials
David Dubbeldam et al.
MOLECULAR SIMULATION (2016)
Exploiting Large-Pore Metal-Organic Frameworks for Separations through Entropic Molecular Mechanisms
Ariana Torres-Knoop et al.
CHEMPHYSCHEM (2015)
NOx emissions from low-temperature combustion of biodiesel made of various feedstocks and blends
Hamid Omidvarborna et al.
FUEL PROCESSING TECHNOLOGY (2015)
Simulating the Reactions of CO2 in Aqueous Monoethanolamine Solution by Reaction Ensemble Monte Carlo Using the Continuous Fractional Component Method
Sayee Prasaad Balaji et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Zeolites for the selective adsorption of sulfur hexafluoride
I. Matito-Martos et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)
Computational screening of porous metal-organic frameworks and zeolites for the removal of SO2 and NOx from flue gases
Weizhen Sun et al.
AICHE JOURNAL (2014)
Zeolite screening for the separation of gas mixtures containing SO2, CO2 and CO
I. Matito-Martos et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
TraPPE-zeo: Transferable Potentials for Phase Equilibria Force Field for All-Silica Zeolites
Peng Bai et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2013)
Large-Scale Screening of Zeolite Structures for CO2 Membrane Separations
Jihan Kim et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)
On the inner workings of Monte Carlo codes
David Dubbeldam et al.
MOLECULAR SIMULATION (2013)
Adsorption equilibrium for sulfur dioxide, nitric oxide, carbon dioxide, nitrogen on 13X and 5A zeolites
Hua Deng et al.
CHEMICAL ENGINEERING JOURNAL (2012)
Equilibrium and transport properties of CO2+N2O and CO2+NO mixtures: Molecular simulation and equation of state modelling study
V. Lachet et al.
FLUID PHASE EQUILIBRIA (2012)
How Well Do Metal-Organic Frameworks Tolerate Flue Gas Impurities?
Lifeng Ding et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2012)
Evaluation of the Impact of H2O, O2, and SO2 on Postcombustion CO2 Capture in Metal-Organic Frameworks
Jiamei Yu et al.
LANGMUIR (2012)
In silico screening of carbon-capture materials
Li-Chiang Lin et al.
NATURE MATERIALS (2012)
Reaction Ensemble Monte Carlo Simulation of Complex Molecular Systems
Thomas W. Rosch et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
In silico screening of metal-organic frameworks in separation applications
Rajamani Krishna et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Recent developments in novel sorbents for flue gas clean up
Yan Liu et al.
FUEL PROCESSING TECHNOLOGY (2010)
Modeling Adsorption and Self-Diffusion of Methane in LTA Zeolites: The Influence of Framework Flexibility
A. Garcia-Sanchez et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2010)
Comment on Comparative Molecular Simulation Study of CO2/N2 and CH4/N2 Separation in Zeolites and Metal-Organic Frameworks
Rajamani Krishna et al.
LANGMUIR (2010)
Molecular simulations of zeolites: Adsorption, diffusion, and shape selectivity
Berend Smit et al.
CHEMICAL REVIEWS (2008)
Dynamis CO2 quality recommendations
Erika de Visser et al.
INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL (2008)
Thermodynamic Behavior of the CO2 + NO2/N2O4 Mixture: A Monte Carlo Simulation Study
Emeric Bourasseau et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2008)
Simulation of chemical reaction equilibria by the reaction ensemble Monte Carlo method: a review
C. Heath Turner et al.
MOLECULAR SIMULATION (2008)
A computational study of CO2, N2, and CH4 adsorption in zeolites
E. Garcia-Perez et al.
ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY (2007)
Ab initio calculations of nitrogen oxide reactions:: Formation of N2O2, N2O3, N2O4, N2O5, and N4O2 from NO, NO2, NO3, and N2O
Eric D. Glendening et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Combining reactive and configurational-bias Monte Carlo: Confinement influence on the propene metathesis reaction system in various zeolites
S. Jakobtorweihen et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Chemical equilibria of multiple-reaction systems from reaction ensemble Monte Carlo simulation and a predictive equation of state: Combined hydrogenation of ethylene and propylene
J Carrero-Mantilla et al.
FLUID PHASE EQUILIBRIA (2006)
Low temperature selective catalytic reduction of NOx by ammonia over H-ZSM-5:: an IR study
V Sanchez-Escribano et al.
APPLIED CATALYSIS B-ENVIRONMENTAL (2005)
Reactive Monte Carlo and grand-canonical Monte Carlo simulations of the propene metathesis reaction system
N Hansen et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Estimation of occupational and nonoccupational nitrogen dioxide exposure for Korean taxi drivers using a microenvironmental model
B Son et al.
ENVIRONMENTAL RESEARCH (2004)
Understanding the role of sodium during adsorption: A force field for alkanes in sodium-exchanged faujasites
S Calero et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
Separation of CO2/N-2 mixtures using MFI-type zeolite membranes
MP Bernal et al.
AICHE JOURNAL (2004)
A novel activated carbon honeycomb catalyst for simultaneous SO2 and NO removal at low temperatures
YL Wang et al.
CARBON (2004)
Reverse Monte Carlo simulation of the microscopic structure for chemically associating fluids by using experimental data
L Pusztai et al.
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS (2002)
Influence of framework flexibility on the adsorption properties of hydrocarbons in the zeolite silicalite
TJH Vlugt et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2002)
Entropy effects during sorption of alkanes in zeolites
R Krishna et al.
CHEMICAL SOCIETY REVIEWS (2002)
Simultaneous adsorption of SO2-NOx from flue gases in a riser configuration
AK Das et al.
AICHE JOURNAL (2001)
Microwave assisted catalytic reduction of sulfur dioxide with methane over MoS2 catalysts
XL Zhang et al.
APPLIED CATALYSIS B-ENVIRONMENTAL (2001)
Chemical equilibria in slitlike pores
M Borówko et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Effect of confinement on chemical reaction equilibria:: The reactions 2NO⇆(NO)2 and N2+3H2⇆2NH3 in carbon micropores
CH Turner et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Molecular simulation of multicomponent reaction and phase equilibria in MTBE ternary system
M Lísal et al.
AICHE JOURNAL (2000)
Share Paper
