Steve Lustig

About

Joined the Chemical Engineering Department in Fall 2016.

Our work seeks to design and manipulate molecular/materials chemistry and structure for new property discovery, new functionality and technology development by combining theory, high performance computing and experimental methods. Our theoretical methods frequently involve quantum chemistry, statistical mechanics, polymer physics, materials and biomolecular engineering. Our experimental methods frequently involve chemical synthesis, processing and characterizations: such as: microlithography, electrospinning, atomic force microscopy, spectroscopy, rheology and electroanalysis. We develop and implement powerful, multi-disciplinary tools to solve relevant problems with industry and national laboratories.

Our group research is described as three programs, each aimed at important societal problems addressed by new theory, computer simulation and experiments.

1. We have developed a novel class of 2D polymers composed of hexa-substituted benzene nodes within a two-dimensional covalent organic framework. Graphimine is a highly conjugated 2D polymer with useful electronic and catalysis properties. Graphamide has the potential to be the new standard for high-strength, low weight materials. Our research in 2D polymers and their novel polymerization methods are at the forefront of polymer science.
2. COSMOdesign is an original paradigm to design new molecules, mixtures, materials and processes. Research further develops and applies this methodology in the design of (i) bioactive molecules with targeted physiological and environmental fate and (ii) environmentally safe refrigerants. Continued research is focused on improving the accuracy and broadening the applicability of direct design methods to (i) three dimensional docking, (ii) multi-scale mesoscopic dynamics and (iii) crystallization.
3. Research on enzyme based air cathodes illustrates an important scientific opportunity to understand how to design practical nano-structured materials that deliver efficiently electrons and molecular reactants to the active centers of immobilized enzymes. Among many applications, this research will solve the remaining challenges toward enabling practical microbial fuel cells.
4. Continued collaborations address why our antiballistic fibers break well below theoretical strength and what must be done to offer better protection. New materials are designed based on: understanding the molecular structure of liquid crystal polymer solutions in extensional flows, understanding the morphological defects that initiate failure and new synthesis paradigms for greater morphological perfection.

Selected Publications

• D. Rana, K. Lachmayr, S.R. Lustig, “A Review of Covetics– Current Understanding and Future Perspectives” Nanoscale Advances, 5, 11-26 (2023) DOI: https://doi.org/10.1039/D2NA00500J
• A.M. Rahimi, S. Jamali, J.P. Bardhan, S.R. Lustig, “Solvation Thermodynamics of Solutes in Water and Ionic Liquids Using the Multiscale Solvation-Layer Interface Condition Continuum Model”, J. Chem. Theory & Comput., 18(9),5539-5558 (2022) DOI: https://doi.org/10.1021/acs.jctc.2c00248
• S.R. Lustig, S.R., Allen, J.D. Londono, J. Lowery “Mechanistic Impact of Water on Polypyridobisimidazole (M5) Structure and Properties”, Polymer Int., 2021, 70(6), 795-802, DOI: https://doi.org/10.1002/pi.6194
• S.R. Lustig, J.W. Andzelm, E.D. Wetzel “Highly Thermostable Dynamic Structures of Polyaramid Two-Dimensional Polymers” Macromolecules, 54, 1291-1303 (2021) DOI: https://doi.org/10.1021/acs.macromol.0c01931
• S.R. Lustig, et al., Effectiveness of Common Fabrics to Block Aqueous Aerosols of Virus-like Nanoparticles, ACS Nano, 14, 2020, 7651-7658
• T.A. Stockdale, D.P. Cole, J.M. Staniszewski, M.R. Roenbeck, D. Papkov, S.R. Lustig, et al., Hierarchical Mechanisms of Lateral Interactions in High- Performance Fibers, ACS Appl. Mater. Interfaces, 12, 2020, 22256-22267
• S.R. Lustig, Speciation in Electrolytes Using the COSMO-RS Solution Model, Fluid Phase Equilibrium, 2020, 112717
• M.R. Roenbeck, J. Cline, V. Wu, M. Afshari, S. Kellner, P. Martin, J.D. Londono, L.E. Clinger, D. Reichert, S.R. Lustig, et al., Structure–Property Relationships of Aramid Fibers Via X-ray Scattering and Atomic Force Microscopy, Journal of Materials Science, 54, 2019, 6668–6683 (2019 Cahn Prize April finalist)

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