The Process Systems, Reaction Engineering, and Molecular Thermodynamics program, part of the Chemical Process Systems cluster, supports fundamental engineering research aimed at advancing knowledge in chemical reaction rates and mechanisms, systems engineering, and molecular thermodynamics. The program focuses on the design and optimization of chemical reactors and the development of specialized materials with societal impact. Research priorities include sustainable chemical manufacturing, energy efficiency, environmentally friendly chemical products, and the electrification of chemical processes to replace thermally-activated methods.

In chemical reaction engineering, the program supports research on transport phenomena and kinetics in reactive systems, with applications in designing novel reactors, including catalytic, membrane, and micro-reactors, as well as advanced techniques like atmospheric pressure plasmas and microwave radiation. Additional focus areas include multifunctional systems, modular chemical manufacturing processes, and biomass conversion to fuels and chemicals. In process design, optimization, and control, the emphasis is on developing advanced modeling, optimization, and control algorithms, process intensification, smart manufacturing systems, carbon dioxide capture and conversion, and machine learning for resilient chemical supply chains. Research in reactive polymer processing is limited to projects that integrate synthesis and processing to achieve specific nanoscale properties with environmental benefits, such as enhanced biodegradability or recyclability.

Molecular thermodynamics research under this program focuses on fundamental studies combining classical thermodynamics, statistical mechanics, and atomistic-scale simulations to design functional materials and improve chemical processes. Topics of interest include self-assembly of nanoscale polymer films, machine-learning-driven structure-property prediction, peptide self-assembly, protein interactions, and multiphase systems under nanoscale confinement. Proposals with innovative ideas outside these specific areas may also be considered, but investigators are encouraged to consult the program director beforehand to ensure alignment with program goals.

Proposals should emphasize the novelty and transformative potential of the research, its significance to engineering science, and its potential societal or industrial impact. The proposal's Project Summary must include these elements. Awards typically support three years of research, including funding for one graduate student and one month of principal investigator salary per year. Larger budgets should be discussed with the program director prior to submission. Additionally, Faculty Early Career Development (CAREER) program proposals, with a five-year award duration, are encouraged, with an annual submission deadline in July.

Proposals for conferences, workshops, and supplements require prior consultation with the program director. Similarly, proposals under the RAPID (Rapid Response Research), EAGER (EArly-concept Grants for Exploratory Research), and GOALI (Grant Opportunities for Academic Liaison with Industry) mechanisms must be discussed in advance. These proposals can be submitted year-round, and guidelines for each are detailed in the Proposal & Award Policies & Procedures Guide (PAPPG).

Applicants must ensure full compliance with the Proposal and Award Policies and Procedures Guide (PAPPG), as non-compliant proposals will be returned without review. Prospective investigators are advised to review recently funded projects for additional insights and examples of successful proposals.