(3ak) Hybrid Membranes for Challenging Energy Separations

Chemical separations consume 15% of U.S. industrial energy use. Widespread use of molecularly selective membranes can significantly reduce this number. Numerous membrane materials have emerged to address unmet separation challenges in recent decades. Among the many varieties, organic-inorganic hybrid membranes have shown promising results by combining the advantages of organic and inorganic membranes. However, the design and realization of hybrid membrane materials for targeted applications still relies largely on trial and error due to several practical challenges: (1) identification of inorganic filler, (2) poor control over organic-inorganic interfaces, and (3) mismatched performance between organic and inorganic phases. Rational design of hybrid membranes requires fundamental understanding of material properties, penetrant features, and corresponding permeation results. In this regard, coupling atomistic simulation techniques and experimental approaches based on membrane theories will expedite the hybrid membrane development progress by providing insights into specific separation problems.

Prior to joining Georgia Tech, I pursued the integration of computational and experimental skills in describing gas adsorption and diffusion phenomena through porous sorbents and membranes. At Georgia Tech, under the supervision of Professor William Koros, I proposed a novel olefin/paraffin separation mechanism named conformation-controlled molecular sieving. This novel mechanism refined the traditional molecular sieving effect, and over the past year, I experimentally verified the mechanism. Specifically, hybrid membranes illustrating this conformation-controlled molecular sieving were developed and showed promising propylene/propane and n-butane/iso-butane separation performance, surpassing all reported hybrid membranes.

My future research aims to lead the development of hybrid membranes for key energy separations assisted by computational simulations. Design of “inorganic” molecular sieves will be guided by a molecular-level understanding of permeation (adsorption + diffusion) and material structure-property relationships. Matching of “organic” polymer matrices with the molecular sieves’ properties and performance will be pursued to attain optimum membrane performance. Computational simulations will be performed to provide insights into membrane performance and guide future membrane developments. Ultimately, rationally screened organic-inorganic compositions, along with their physical and chemical properties as well as experimental separation data, will be organized to derive a database for key challenging energy separations. Such a database will be further used to train machine learning algorithm for large-scale screening of novel membrane materials. With extensive experimental experience in membranes and strong expertise in computational simulations, I am uniquely suited to undertake these challenging research efforts.

Teaching interests:

Chemical Engineering Fundamentals, Computational Simulations, Separation Processes, Fundamentals of Membranes and Adsorbents

Selected Publications (39 total, 15 first author, 778 citations, H-index 17):

1. Yang Liu, Zhongyun Liu, Gongping Liu, Wulin Qiu, Nitesh Bhuwania, Daniel Chinn, William Koros. Surprising Plasticization Benefits in Natural Gas Upgrading Using Polyimide Membranes. Journal of Membrane Science, 2020, 593, 117430.
2. Yang Liu, Zhongyun Liu, Atsushi Morisato, Nitesh Bhuwania, Daniel Chinn, William J. Koros. Natural Gas Sweetening Using a Cellulose Triacetate Hollow Fiber Membrane Illustrating Controlled Plasticization Benefits. Journal of Membrane Science, 2020, 601, 117910.
3. Yang Liu, Zhijie Chen, Gongping Liu, Youssef Belmabkhout, Osama Shekhah, Mohamed Eddaoudi, William Koros. Conformation-Controlled Molecular Sieving Effect for Membrane-based Propylene/Propane Separation. Advanced Materials 2019, 31(14), 1807513.
4. Yang Liu, Gongping Liu, Chen Zhang, Wulin Qiu, Shouliang Yi, Valeriya Chernikova, Zhijie Chen, Youssef Belmabkhout, Osama Shekhah, Mohamed Eddaoudi, William Koros. Enhanced CO₂/CH₄ Separation Performance of a Mixed Matrix Membrane Based on Tailored MOF-Polymer Formulations. Advanced Science 2018, 5(9), 1800982.
5. Yang Liu, Bing Zhang, Defei Liu, Ping Sheng, Zhiping Lai. Fabrication and Molecular Transport Studies of Highly c-oriented AFI Membranes. Journal of Membrane Science 2017, 528, 46-54.