Siepmann Group News

Nature figure 1

March 15, 2017 | 

Groundbreaking process for creating ultra-selective separation membranes published in Nature

A team of researchers, led by the University of Minnesota, has developed a groundbreaking one-step, crystal growth process for making ultra-thin zeolite nanosheets and demonstrated their use as ultra-selective membranes for chemical separations. Peng Bai, Evgenii Fetisov,  Raghu Thyagarajan, and Rob DeJaco performed electronic structure calculations and molecular dynamics and Monte Carlo simulations to aid the structure determination and probe the transport and adsorption selectivities.

See: http://www.nature.com/nature/journal/vaop/ncurrent/full/nature21421.html

Candy Dish Problem

September 22, 2016 | Take the Best, Leave the Rest 
Fundamental researchers offer new ways to sort molecules for clean energy and more. 

News highlight on Department of Energy, Office of Science webpage
Related articles published in:
Nature Communications 6, Article number: 5912 and Angew. Chem. Int. Ed. 20168, 1190 (2015)

Jingyi Chen September 8, 2016  |  Graduate Student, Jingyi Chen is  Honored for 4.0 Grade Point Average
 
lightning

July 25, 2016 | Researchers Develop New Approach for Studying Reaction Equilibria in Complex Chemical Systems

Graduate student Evgenii Fetisov and Professor Ilja Siepmann have developed a new simulation approach to predict reactive equilibria.

more
 

Evgenii
Shah,M

April 27, 2016  |  Evgenii Fetisov & Mansi Shah Awarded Doctoral Dissertation Fellowships

Congratulations, Evgenii & Mansi!

mansi

April 25, 2016  |  Researchers Identify Promising Materials for Next Generation Sour Gas Sweetening

Mansi Shah, a fourth-year graduate student in chemical engineering, and her advisors, Michael Tsapatsis and Ilja Siepmann, have identified promising zeolite structures that will be instrumental in the design of next-generation gas sweetening technologies.

A manuscript describing this research has appeared online in Angewandte Chemie International Edition and will also featured as a frontispiece in a future issue.

mona

April 20, 2016  |  Mona Minkara, Ph.D., Received Ford Foundation Fellowship

Mona Minkara, Ph.D., a post-doctoral associate working with Professor J. Ilja Siepmann, has received a National Academies of Sciences, Engineering, and Medicine Ford Foundation Fellowship. Congratulations, Mona!

becky

March 15, 2016  |  Rebecca Lindsey Receives Award at ACS. Congrats, Becky!

Rebecca Lindsey has been awarded the Colloids and Surface Chemistry Division Poster Award at the 2016 ACS meeting for her work entitled, “Partitioning of Organics in Surfactant Bilayers.”

acs2016

March 7, 2016  |  Siepmann Group Heading to San Diego for ACS

J. Ilja Siepmann  |  Evgenii Festisov  |  David Harwood  |  Robert Hembree  |  Rebecca Lindsey  |  Mona Minkara  |  Kimberly Struk  |  Jeffrey Sung

Abstracts

TraPPE-1

March 5, 2016  |  TraPPE-1 Surpasses 1024 Citations. Congrats, Marcus!

The paper describing the TraPPE united atom model for alkanes reached an important citation milestone.

robadsorptive_separation_of_1-butanol_from_aqueous_solutions_using_mfi-_and_fer-type_zeolite_frameworks-_a_monte_carlo_study.jpg

March 1, 2016  |  Rob DeJaco's First Paper Published in Langmuir. Congrats!

DOI: 10.1021/acs.langmuir.5b04483

Understanding Retention in Reversed-Phase Liquid Chromatography

Chromatography

January 12, 2008  |  Understanding Retention in Reversed-Phase Liquid Chromatography

Simulating Fluid Phase Equilibria of Water from First Principles

Algorithm Development | Phase Equilibria

February 1, 2006  |  Simulating Fluid Phase Equilibria of Water from First Principles

Elucidating the vibrational spectra of hydrogen-bonded aggregates in solution

Microheterogenous Fluids

July 6, 2005  |  Elucidating the vibrational spectra of hydrogen-bonded aggregates in solution

Simulating Green Solvents

Phase Equilibria

January 5, 2005  |  Simulating Green Solvents

Liquid Water from First Principles: Validation of Different Sampling Approaches

Algorithm Development

June 23, 2004  |  Liquid Water from First Principles: Validation of Different Sampling Approaches

Temperature Dependence of Transfer Properties: Importance of Heat Capacity Effects

Chromatography | Phase Equilibria

July 9, 2003  |  Temperature Dependence of Transfer Properties: Importance of Heat Capacity Effects

Simulating the Nucleation of Water/Ethanol and Water/Nonane Mixtures: Mutual Enhancement and TwoPpathway Mechanism

Algorithm Development

December 11, 2002  |  Simulating the Nucleation of Water/Ethanol and Water/Nonane Mixtures: Mutual Enhancement and Two-pathway Mechanism

Solvation of Napthalene in Supercritical Carbon Dioxide: Are Large Negative Partial Molar Volumes Related to Local Density Enhancements?

Phase Equilibria

July 10, 2002  |  Solvation of Napthalene in Supercritical Carbon Dioxide: Are Large Negative Partial Molar Volumes Related to Local Density Enhancements?

Influence of Analyte Overloading on Retention in Gas-Liquid Chromatography

Chromatography

November 14, 2001  |  Influence of Analyte Overloading on Retention in Gas-Liquid Chromatography

      Self-Aggregation in Dilute Solutions of 1-Hexanol in n-Hexane

Microheterogenous Fluids

June 13, 2001  |  Self-Aggregation in Dilute Solutions of 1-Hexanol in n-Hexane

Monte Carlo Simulations of Superheated Hydrogen Fluoride Vapor

Microheterogenous Fluids

November 29, 2000  |  Monte Carlo Simulations of Superheated Hydrogen Fluoride Vapor

Solute Partitioning between water and (dry or wet) 1-octanol

Phase Equilibria

September 6, 2000  |  Solute Partitioning Between Water and (Dry or Wet) 1-Octanol

Molecular Modeling of Supercritical Fluid Extraction

Phase Equilibria

February 23, 2000  |  Molecular Modeling of Supercritical Fluid Extraction

Simulating Retention in Chromatography

Chromatography

September 8, 1999  |  Simulating Retention in Chromatography