(2dv) Green Energy Storage and Chemical Technologies: Combining Informatic Principles with Advanced Molecular Simulations to Capture Catalyst Dynamics

Gregory Collinge, Ph.D. Chemical Engineering

2014-2019: Ph.D, Washington State University (Advisor: Jean-Sabin McEwen)

2019-present: Postdoc, Pacific Northwest National Laboratory (Advisor: Roger Rousseau)

Relevant Metrics:

22 publications. 11 first author (published), 5+ first author (in preparation), 177 total citations, h-index of 8 (Google Scholar). 14 presentations (2 invited). 8 funded proposals. 4 Ph.D. fellowships. 4 scholarly awards. 10 outreach and volunteer events.

Research Interests in Brief:

• Advanced molecular and kinetic modeling—leveraging supercomputing, quantum chemistry, statistical mechanics, and interpretable/physics-informed informatics/machine learning techniques—used to identify mechanisms, develop/discover new catalysts, and extract thermodynamic and kinetic information needed to accelerate green catalystic technologies.
• Multi-functional catalyst development for upgrading and conversion of distributed biomass feedstocks (i.e., distributed manufacturing).
• Green H₂ production for sustainable NH₃ synthesis, bio-oil upgrading, and CO₂
• Process intensification for rapid improvement and development of transitional and future carbon-responsible technologies.
• Mitigation of point-source greenhouse gas emissions in translational technologies.
• Carbon-neutral/negative CO₂ capture and conversion or recycle for future technologies.
• Defining and determining both local and global entropy in chemical systems: ab initio molecular dynamics, cluster expansions, and associated multiscale kinetic modeling.
• Development of a common dynamic framework of (heterogenous) catalysis as a means of:
  • Facilitating invention of new catalytic technologies exploiting chemical processes important to the interconversion of electrical and chemical energy (in the context of both traditional and intermittent energy sources).
  • Elucidating site distributions on real catalysts where site-cooperativity amongst multiple intersecting reactions influence dynamics of catalyst/electronic structures.
  • Inducing changes in catalytic cycles and deactivation pathways in catalyst design.
  • Maximizing the technological impact of nano- and single atom stabilized structures via determination and control of non-local effects, electron transport, and reactivity.
  • Taking advantage of redox conversions and confinement effects enabled by traditional and novel support materials, with careful attention to practical impact at reactor scales.

Teaching Interests in Brief:

• Undergraduate level: strong desire to teach fundamentals of chemical engineering—such as materials and energy balances, thermodynamics, kinetics, and transport phenomena. My groups’ research will provide specific examples illustrating fundamental concepts.
• Semi-flipped classroom with audience response systems incorporated for instant self-assessment and feedback. I will record 5–10-minute lecture videos going over key concepts paired with guided inquiry worksheets. Group projects, introducing the idea of working in an engineering “firm”, will be assigned as part of any course taught.
• Graduate level: chemical engineering kinetics (nonideal reactors), and a strong desire to design an “advanced microkinetic modeling of catalysis” course based on my group’s research.
• Mentorship of graduate students through a collaborative lens, enhancing their academic and outreach portfolios to ensure success both during and after graduate school. I believe in life-long mentorship.

Overview and Writing Sample:

President Biden has set a national objective to reduce the United States’ greenhouse gas emissions by at least half by 2030—with an overarching goal of achieving a net-zero economy by 2050.[1] With the existential threat of climate change ever looming, meeting these or similar goals will remain critical challenges regardless of future administration priorities. The vast majority of current emissions come primarily from three sectors: transportation, industry, and electricity.[2] The utilization of renewable energy sources (wind, solar, etc.) promises to combat emissions in those sectors or subsectors that can be electrified (light-duty vehicles, power generation, etc.), but industrial chemical processes and heavy-duty vehicle fleets (shipping, aviation, etc.) will require considerable innovation to sustainably transition to a carbon-neutral future. In the meantime, we will need to develop new, economically pragmatic ways of using (or reusing) carbon sources responsibly and sustainably across all carbon utilizing sectors. Therefore, meeting the 2030 and 2050 goals will require, respectively, the process intensification of carbon-responsible transitional technologies alongside the development of the carbon-neutral/carbon-negative ones of the future.

Few industrially relevant chemical reactions occur without a catalyst, as evidenced by their over 33 billion USD per year market share in 2019 and expected annual growth rate of 4.4% into this decade.[3] Heterogenous catalysts make up the majority of the catalyst market.³ This is because heterogeneously catalyzed reactions are critical to the aforementioned sectors, encompassing (amongst many others) petroleum refining, biomass upgrading, carbon capture and recycling, vehicle emissions control, and the synthesis of polymers, petrochemicals, and myriad so-called “fine” chemicals (biocides, active pharmaceutical ingredients, and other specialty chemicals). In short, if we are to innovate and develop novel technologies capable of meeting the threat of climate change while maintaining social and economic demands, we must target these catalyzed processes and swiftly optimize and develop new ones. This is where my overarching research interests reside.

[1] The White House: Statements and Releases. FACT SHEET: President Biden Sets 2030 Greenhouse... April 22, 2021. Website. Accessed June 29, 2021.

[2] United States Environmental Protection Agency. Sources of Greenhouse Gas Emissions. Website. Accessed June 29, 2021.

[3] Grand View Research. Catalyst Market Size & Share, Industry Report, 2020-2027. July 2020. Website. Accessed June 29, 2021.