The Computational Methods in Chemical Engineering section is dedicated to publishing research focused on advancing mathematical and computational modeling in chemical engineering.

Led by Dr. Fengqi You from Cornell University, the Computational Methods in Chemical Engineering section welcomes submissions in various domains of computational methods in chemical engineering, which connect theoretical foundations with practical applications.

Topics considered in the scope of this section include:

computational fluid dynamics and multi-physics simulation for chemical engineering-related applications
computational modeling and simulation of atomic, molecular, and material systems
process and energy integration, including heat integration, mass integration, work integration, pinch analysis, heat exchanger network, water network, hydrogen network, steam systems, heat recovery, and process and energy efficiency
process control, such as dynamic modeling of processes, dynamic estimation, feedback control, applications of standard controller feature, stability, controller tuning, plant-wide control, cascade control, model predictive control, robust control, stochastic control, and integrated control, design, and operations
process modeling, including principles of mathematical modeling in chemical engineering, problem formulation, solution, discrete systems, methods of solution, understanding system behavior, and process simulation software
process operations, covering scheduling of batch and continuous processes, production planning, dynamic optimization, real-time optimization, supply chain and logistics optimization, global optimization, optimization under uncertainty, surrogate-based optimization, smart manufacturing, process safety, and hazard identification
product and process design, such as analysis of design alternatives, structure of process design systems, degrees of freedom, information flow, computer-aided process and plant design programs, physical properties, specifications, recycle convergence, superstructure optimization, process economics, and integrated product and process design

Submissions should provide detailed, in-depth knowledge about innovative computational models, methods, and applications in chemical engineering.

In particular, the section welcomes submissions which support and advance the computational methods in chemical engineering and SDGs 7 (Affordable and Clean Energy), 9 (Industry, Innovation and Infrastructure), 12 (Responsible Consumption and Production), and 13 (Climate Action).

The Computational Methods in Chemical Engineering section does not consider submissions that are unrelated to computational techniques, models, or simulations in the context of chemical engineering. However, studies focusing on clinical trials, social sciences, or purely experimental work may be considered if they have a significant computational component that advances the understanding or application of computational methods in chemical engineering.

This multidisciplinary section is at the forefront of disseminating and communicating cutting-edge scientific knowledge and impactful discoveries in the field of computational methods in chemical engineering to researchers, industry, policymakers, and the public worldwide.

research topics

Artificial Intelligence in Chemical Engineering