Maginn, E. J.

Authored

(742a) Liquid-Liquid Phase Separation of Ionic Liquids By Water Addition (Experiment and Simulation)
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(508g) Systematic Refinement of Gaff Force Field for Nineteen Organic Battery Electrolytes
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(685g) Reaction Ensemble Monte Carlo: Applications to Ionic Liquids
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(218f) Reaction Ensemble Monte Carlo Simulations of Xylene Isomerization Under Confinement
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
Computing Shear Viscosity Using Green-Kubo and Reverse Non-equilibrium Molecular Dynamics: Best Practices and Caveats
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(489f) Assessing the Reliability of Computing Ion Pair Lifetimes and Diffusivity to Predict Experimental Viscosity Trends of Ionic Liquids
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(163h) A Molecular Dynamics Study of Actinide Nanoclusters
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(1e) How to Use the Atomistic Monte Carlo Package Cassandra: Liquid Phase Properties and Vapor-Liquid Phase Equilibria
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(227b) Molecular Dynamics Simulations of H2O and CO2 at An Ionic Liquid Interface: Effect of a Third Component On CO2 Absorption Dynamics
2010 Annual Meeting
(501c) Predicting Carbon Dioxide Complexation in Ionic Liquids Using Reaction Ensemble Monte Carlo
2010 Annual Meeting
(64g) Molecular Modeling Insights into the Mechanisms for Viscosity Trends in Ionic Liquids
2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)
(457b) Molecular Simulation Study of Ionic Association in Lidocaine Docusate, An Active Pharmaceutical Ingredient Ionic Liquid and Its Derivative
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(367d) Time-Dependent Diffusion and Chemical Exchange in Mixtures of An Amine-Functionalized Ionic Liquid and Carbon Dioxide By NMR
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(68f) Evaluation of Ionic Liquids as Novel Post-Combustion Carbon Dioxide Capture Solvents
2008 Spring Meeting & 4th Global Congress on Process Safety
(696a) Molecular Design of High CO2 Reactivity and Low Viscosity Ionic Liquids for CO2 Separative Facilitated Transport Membrane
2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)
(83a) Molecular Simulation and SAFT Modeling of Solvation in Ionic Liquids
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(253at) Recent Advances in the Development of Cassandra: An Open Source Monte Carlo Framework for Phase Equilibria Calculations
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(339c) Dynamics of Actinyl Ions in Water
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(63b) Force Field Assessment for Predicting Vapor-Liquid Equilibrium of Water in Ionic Liquids
2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)
(388g) Interaction of Room Temperature Ionic Liquids With Lipid Membrane: A Molecular Simulation Study
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(111a) Development and Application of Advanced Molecular Simulation Methods for Computing the Properties of Ionic Liquids
2008 Spring Meeting & 4th Global Congress on Process Safety
(591d) Elucidating the Cytotoxic Mechanism of Imidazolium-Based Ionic Liquids Via Molecular Simulations
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(279d) A Combined Molecular Simulation and Group Contribution Method to Efficiently Predict the Solubility of Nonelectrolyte Solids
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(63g) Structure and Dynamics of Mixtures of Ionic Liquids and Polyethers
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(311f) Prediction of Thermodynamic Properties of Ionic Liquids: Improved Performance From Ab Initio Molecular Dynamics
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(719b) Molecular Simulation of CO2 Absorption in the Ionic Liquid [P2228+][2CNpyr-] Using Reaction Ensemble Monte Carlo
2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)
(112a) The Solubility of Carbon Dioxide, Hydrogen and Their Mixture in the Ionic Liquids 1-Alkyl-3-Methylimidazolium Bis(trifluoromethanesulfonyl)Amide ([CnMIM+][TF2N-])
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(29c) Ionic Liquids for Post-Combustion Carbon Dioxide Capture
2007 Spring Meeting & 3rd Global Congress on Process Safety
(595a) Will Molecular Modeling Ever Become a Mainstream Chemical Engineering Tool?
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(339a) Thermo Physical Properties of Urania-Ceria Solid Solutions: A Monte Carlo Study
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)

Related Proceedings

2007 Spring Meeting & 3rd Global Congress on Process Safety2008 Spring Meeting & 4th Global Congress on Process Safety2010 Annual Meeting2013 AIChE Annual Meeting2014 AIChE Annual Meeting2015 AIChE Annual Meeting Proceedings2016 AIChE Annual Meeting2017 Annual Meeting2018 AIChE Annual Meeting