November 2013 | AIChE

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November 2013

Prediction of Thermodynamic Properties of Ionic Liquids: Improved Performance From Ab Initio Molecular Dynamics

Conference Presentation
AIChE Annual Meeting
November 5, 2013
Classical molecular dynamics and Monte Carlo simulations have been used extensively over the past ten years to predict the thermodynamic and...

Novel Catalytic Membranes for Combined Biomass Hydrolysis and Sugar Recovery

Conference Presentation
AIChE Annual Meeting
November 5, 2013
Production of biofuels from lignocellulosic biomass is one of the leading candidates for replacement of fossil fuels. In the biochemical conversion...

Modeling Chemical and Physical Interactions in CO2/Ionic Liquids With the Reaxff Force Field

Conference Presentation
AIChE Annual Meeting
November 5, 2013
Ionic liquids (ILs) are promising sorbents for CO2 due to their essentially zero vapor pressure and the potential to tune the CO2-IL interaction...

A Simple, Indirectly-Irradiated, Windowless Reactor for Solar Thermochemical Water Splitting

Conference Presentation
AIChE Annual Meeting
November 5, 2013
Although concentrated solar energy has enormous potential for use as process heat to drive chemical reactions , the thermal efficiency of converting...

Aggregation in Ionic Liquids: Molecular Dynamics Simulation

Conference Presentation
AIChE Annual Meeting
November 5, 2013
The spatial microheterogeneity in ionic liquids (ILs) is one of the the key features and has been proved useful in understanding the special behavior...

Distinctive Nanoscale Organization of Double- Cationic Versus Single-Cationic Ionic Liquids

Conference Presentation
AIChE Annual Meeting
November 5, 2013
Double-cationic ionic liquids are attracting the increasing research interests recently. In this work , the distinctive structural organization of...

On-Line Detection of Elemental and Oxidized Hg Using Quadrupole Mass Spectrometry: Applications and Limits

Conference Presentation
AIChE Annual Meeting
November 5, 2013
Coal-fired power plants provided between 45 and 50% of the United States net energy generation in the years between 1999 and 2010. While alternate...

Systematic Molecular Simulation Investigation of the Influence of the Chemical Structure of Anion and Cation to the Properties of Imidazolium-Based Ionic Liquids and to the Thermodynamic Properties of Light Gases Dissolved Therein

Conference Presentation
AIChE Annual Meeting
November 5, 2013
This work focuses on the computational study of the physical properties of pure imidazolium-based tricyanomethanide Ionic Liquids (ILs) , [Cnmim+][...

A Detailed Mechanism of Solar Thermochemical Carbon Dioxide Splitting With CeO2

Conference Presentation
AIChE Annual Meeting
November 5, 2013
Currently ceria is a favored material within the concentrated solar power fuels community. The kinetic mechanisms responsible for ceria’s catalytic...

At Least 1,000X Thinner than a Human Hair

Conference Presentation
AIChE Annual Meeting
November 5, 2013
The last century witnessed the development of two classes of materials—polymers and semiconductors—that dramatically changed people’s lives. A new...

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