Synthesis of Nanoporous Materials in Ionic Liquids: A Fundamental Study of the Solvent's Role

Kansas State University, Manhattan KS

Investigators

Abstract

The objective of the proposed research is to define the role of the solvent in the self?]assembly synthesis of nanoporous zeolitic materials. The proposed work will combine the lead PI?fs (JLA) experience of experimentally investigating ionic liquid solvation properties and zeolite syntheses with the co?]PI?fs (TIM) experience in molecular modeling of ionic liquids systems. This collaborative project will establish a foundation for understanding the fundamental interactions between the ionic liquid and the nanomaterial precursor compounds that will then enable the rational selection of ionic liquids as solvents for the syntheses of new nanoporous materials. INTELLECTUAL MERIT The project proposes using a combination of solubility and spectroscopy measurements, thermodynamic theory, and molecular modeling to study materials made via ionothermal synthesis, where the solvent is an ionic liquid. The intellectual merit of the proposed research includes a detailed investigation into how systematic changes to the ionic liquid structure influence the interactions with the nanomaterial precursors and how that in turn affects the formation of the final material. At the conclusion of this work, the investigators will have reported (1) the first solubility measurements of nanomaterial precursors in ionic liquids, (2) thermodynamic models to describe the phase behavior of the precursors and ionic liquids, (3) the crucial validation of molecular dynamics simulations for ionic liquid / precursor systems, (4) the quantification of the chemical complexes formed between the solute and solvent in the initial stages of zeolite synthesis, and (5) the elucidation of trends between the solute/solvent phase behavior and material formation that will be used to rationally select ionic liquids solvents for synthesis of novel nanoporous materials. BROADER IMPACT The broader impacts of the project are multifold. Specifically, with respect to impacts on the broad fields of ionic liquids and nanoporous materials, this work will (1) enrich the literature on ionic liquid solution behavior and ionothermal synthesis of nanoporous zeolitic materials, (2) provide solute/solvent relationships that can be extended to the ionothermal synthesis of other materials (e.g. silicates, metal organic frameworks, nanometal oxides, etc.), and (3) provide fundamental data critical for the development of computer simulations and predictive modeling techniques that will be important for designing materials. Additionally, both PIs are committed to the education and recruitment of engineering students. The proposed work will enable the inclusion of both graduate and undergraduate students in the research laboratory, facilitate an interactive collaboration between research groups at two universities, and allow the PIs to work with existing outreach infrastructure at their respective institutions to recruit students from underrepresented groups to the fields of science and engineering.