Scope

The Computational Methods in Chemical Engineering section publishes major advances across all aspects of mathematical and computational modeling related to chemical engineering challenges. High-quality articles that focus on computational models/methods or report on the applications of new computational methods to solve important chemical engineering problems across scales are welcome. This can range from molecular and product systems, to unit operations and manufacturing plants. Only sufficiently innovative reported models, methods or applications will be considered.

Areas covered by the section include, but are not limited to:

• Process Modeling: principles of mathematical modeling in chemical engineering such as problem formulation, solution, discrete systems, methods of solution, understanding system behavior, or process simulation software.

• Product and Process Design: 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, integrated product, and process design

• Process and Energy Integration: 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: 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 Operations: 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.

• Computational fluid dynamics and multi-physics simulation for chemical engineering-related applications.

• Computational modeling and simulation of atomic, molecular and material systems

Submission

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