Engineering Everything from Molecules to Factories
How scientists are learning to orchestrate the chemical world from the nanoscale to the industrial plant.
Explore the ScienceImagine trying to conduct a symphony by only listening to the final, booming note of the timpani. You'd miss the delicate violin melody, the harmony of the woodwinds, and the rhythm of the cellos that make the music come alive. For decades, engineering the chemical and energy systems that power our world was a bit like that. We designed massive factories and reactors, but the intricate "music" happening at the molecular level was often a black box.
Today, a revolutionary approach is changing the game: Multiscale Process Systems Engineering (PSE). It's the science of connecting the dots—or rather, the scales—from the dance of individual atoms all the way up to the sprawling complexity of an entire industrial plant. By understanding and designing across these scales simultaneously, scientists are creating more efficient, sustainable, and powerful technologies to tackle grand challenges, from climate change to personalized medicine .
At its heart, Multiscale PSE is about recognizing that what happens at the tiniest level has profound effects on the biggest outcomes. Think of it as a set of Russian nesting dolls, where each layer influences and is influenced by the others.
Angstroms to Nanometers
This is the realm of atoms and molecules. Here, scientists design new catalysts, custom solvents, and novel materials with specific properties. It's like designing the perfect Lego brick .
Micrometers to Millimeters
Individual molecules come together to form particles, catalyst pellets, or membrane fibers. How these tiny structures are arranged dictates how efficiently they perform in reactions or separation processes.
Meters
These are the core pieces of a chemical plant: the reactors, distillation columns, and heat exchangers. Here, we manage the flow of mass and energy on a human scale.
Kilometers and Beyond
This is the big picture—the entire manufacturing plant and its connection to raw material suppliers and product distribution networks. The goal is to maximize profit, minimize environmental impact, and ensure reliability.
The true power of Multiscale PSE is revealed when we see how a change at one scale ripples through all the others. A perfect example is in the design of a catalyst.
A catalyst is a substance that speeds up a chemical reaction without being consumed. Let's say we want to create a better catalyst for converting CO₂ into sustainable fuel.
Design alloy nanoparticles using quantum mechanics
Create porous support structure for nanoparticles
Design reactor vessel with optimal conditions
Integrate into power plant for CO₂ conversion
By modeling and optimizing across all these scales at once, we avoid costly dead-ends and create optimally performing systems from the start .
Let's zoom in on a crucial experiment that exemplifies the multiscale approach: the computer-aided design of a novel solvent for capturing CO₂ from power plant flue gases.
The Goal: Find a molecule that binds to CO₂ strongly enough to capture it, but weakly enough to release it with minimal energy cost during the solvent regeneration step.
This experiment was primarily conducted in silico—on powerful computers.
Started with a digital library of thousands of potential amine-based molecules
Simulated molecular interactions with CO₂ using quantum mechanics
Used process simulation results to refine molecular design
The multiscale screening identified a handful of candidate molecules that were far superior to the industry standard, monoethanolamine (MEA).
Scientific Importance: This approach bypassed years of traditional, costly, and serendipitous lab experimentation. It demonstrated that by linking molecular properties directly to process performance, we can rationally design the key components of our energy systems, dramatically accelerating the development of sustainable technologies .
Table 1: Key Molecular Properties of Candidate Solvents
Table 2: Process-Level Performance Comparison
| Tool / "Reagent" | Scale of Use | Function |
|---|---|---|
| Quantum Mechanics Software | Molecular | Simulates electron interactions to predict molecular binding and reactivity |
| Molecular Dynamics Code | Particle/Device | Models the movement and interaction of millions of atoms |
| Process Simulator | Process/Supply Chain | Creates a digital twin of an entire chemical plant |
| High-Throughput Reactors | Laboratory (Device) | Simultaneously tests dozens of catalyst candidates |
| Advanced Analytics & ML | All Scales | Finds hidden patterns in vast datasets |
Table 3: Essential tools used in Multiscale PSE
Multiscale Process Systems Engineering is more than just an academic concept; it is a fundamental shift in how we build our industrial world. By learning to conduct the grand symphony of scale, we are no longer passive listeners to the final note. We are now the composers, designing the molecular melodies that lead to a more efficient, cleaner, and sustainable industrial performance.
This integrated approach is already paving the way for transformative technologies: designing personalized drug delivery systems from the protein up, creating next-generation batteries, and developing circular economies where waste from one process becomes the feedstock for another. The ability to see and engineer the profound connections between a single molecule and a global supply chain is our most powerful tool for building the future .