J. Ilja Siepmann
Sessions chaired or co-chaired:
Development of Intermolecular Potential Models2010 Annual Meeting
Thermodynamic Properties and Phase Behavior: Part I2005 Annual Meeting
Thermodynamic Properties and Phase Behavior: Part III2005 Annual Meeting
Authored:
(200c) Predicting the Binary Interaction Parameter Chi for Polymer Pairs from Oligomer Simulations
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(649g) Gas-Liquid Chromatography Column Selection By Molecular Simulation
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(369g) Adsorptive Separation of Ethane and Ethylene Using All-Silica Zeolites
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(253ab) Sour Gas Sweetening By Adsorption in Zeolites
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(303e) Molecular Simulation for Adsorption-Based Separation of Bio-Renewable Chemicals
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(388g) Compilation and Analysis of the Computation-Ready, Experimental Metal-Organic Frameworks: Core MOF Version 2.0
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(78b) Exploring Diffusion in Hierarchical Zeolites with Molecular Dynamics Simulations
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(746i) First Principles Monte Carlo Simulations of Reaction Equilibria in Compressed Vapors
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(595f) Making Molecular Modeling and Simulation a Mainstream Source of Data for Chemical Engineering Applications
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(153e) Molecular Simulation of Double Retrograde Vaporization
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(51d) Monte Carlo Molecular Simulations of Water/Oil Interfacial Tension at Elevated Temperatures and Pressures
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(124g) Molecular Simulations for Developing New Ethane/Ethylene Separation Processes
2017 Spring Meeting and 13th Global Congress on Process Safety (ISBN: 978-0-8169-1098-4)
(686g) Development of the TraPPE-CG Force Field2010 Annual Meeting
(191ac) Aggregation of Hexanol Isomers and of 2-Alkoxyethan-1-Ol Compounds in n-Hexane2010 Annual Meeting
(501h) First Principles Simulations of Anhyrous and Hydrous TMAF and Solvation of TATB2010 Annual Meeting
(36d) Invited Speaker #4
2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)
(465a) Mechanism for Selective Fructose Etherification on Hierarchical Sn-SPP Zeolite
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(512a) Monte Carlo Simulations Probing Interfacial Adsorption and Uptake in Surfactant Bilayers
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(688f) [Invited Talk] Predictive Modeling of Adsorption and Reaction Equilibria in Nanoporous Materials
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(689i) Probing Polymer Blend Phase Diagrams Via Oligomer Molecular Simulations
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(736i) Using the k-d Tree Data Structure to Accelerate Monte Carlo Simulations
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(345e) Identifying Best Core MOFs with Open Mg Sites for CO2/N2 Separation Using Computational Tools
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(288d) High-Performance Separation Membranes Fabricated from Directly-Synthesize MFI Nanosheets
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(192al) Computational Discovery of New Materials and Processes for Industrial Separations
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(532d) Pore Size Distribution in Hierarchical Materials: Insights from Molecular Simulations
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(371d) Modeling Bioethanol Enrichment Using Hydrophobic and Hydrophilic Zeolite Membranes
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(682g) Molecular Simulation Studies Probing Transport and Adsorption of C8 Aromatics through MFI Nanosheet Membranes
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(208f) Liquid-Liquid Equilibria of Binary Water/1-Butanol and Water/THF Mixtures Studied By Molecular Simulation
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(456d) Molecular Modeling of Retrograde Vaporization in Enhanced Oil and Gas Recovery
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(179a) Molecular Modeling of Fluid Phase Equilibria for Ternary Mixtures With Two Or Three Liquid Phases
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(797f) Understanding Retention of Block Copolymers in Size Exclusion Chromatography and Liquid Chromatography At the Critical Condition
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(687f) Adsorption of Polyols and Furfurals in All-Silica Zeolites
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(214ac) Molecular Simulation Studies of Adsorption and Diffusion of Complex Molecules in Zeolites
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(572a) Solution-Phase Adsorption of Furan and Carboxylic Acid in Hierarchical Zeolites:Insights from Molecular Simulation
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(219e) Assessment of Options for Determining the Total Adsorption Uptake from Liquid Solution: Alkane-?,?-Diols/(Water or Ethanol) Onto Silicalite-1
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(520a) Understanding the Unique Sorption of Alkane-?,?-Diols in All-Silica Zeolites
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(476b) First Principles Monte Carlo Simulations of Adsorption and Reaction Equilibria
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(95c) Designing of High-? Block Oligomers for Assessing 1-Nm Domains and Understanding the Effects of Molecular Weight on ? and the Effect of Dispersity on Blend Phase Diagrams
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(668a) High-Throughput Screening of Metal-Organic Frameworks to Identify Best Materials for Biogas Upgrading
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(667d) Metal-Catecholate Incorporated UiO Type MOFs for Natural Gas Upgrading and Toxic Gas Capture
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(25b) Gibbs Ensemble Monte Carlo Simulations Probing the Miscibility Gap in Water/Hydrogen Mixtures at High Temperatures and Pressures
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(502i) Deep Neural Network Learning of Complex Binary Sorption Equilibria from Molecular Simulation Data
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(764f) Exploring the Limit of Self-Assembly: High-? Block Oligomers
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(121h) Gibbs Ensemble Monte Carlo Simulations of Oligo(ethylene oxide)/Salt Mixtures
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(482a) Partial Molar Properties from Molecular Simulation Using Multiple Linear Regression
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(247f) Gibbs Ensemble Monte Carlo Simulations for Additive Loading in Surfactant Bilayers
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(73b) Molecular Simulations and Machine Learning for Multicomponent Adsorption
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(376at) Automated Implementation of Trappe Force Fields Using Mosdef
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
Associated proceedings:
2016 AIChE Annual Meeting
2017 Spring Meeting and 13th Global Congress on Process Safety
2010 Annual Meeting
2005 Annual Meeting
2015 AIChE Annual Meeting Proceedings
2017 Annual Meeting
2013 AIChE Annual Meeting
2018 AIChE Annual Meeting
2019 AIChE Annual Meeting