The 73rd Northwest Regional Meeting: Where Science Meets the Future
A Gathering of Minds for Energy, Environment, and Education
In June 2018, the 73rd Northwest Regional Meeting (NORM) of the American Chemical Society (ACS) offered a powerful vision of scientific collaboration. Hosted at the Pacific Northwest National Laboratory (PNNL) in Richland, Washington, this conference was a dynamic hub where leading scientists converged to tackle pressing global challenges 1 .
A Crucible for Innovation
True to its theme of "Energy, Environment & Education," the meeting served as a crucible for innovation. It wove together cutting-edge research in environmental chemistry, computational science, and safety with a deep commitment to educating the next generation 1 .
From exploring mineral-organic interfaces in the environment to celebrating 50 years of the ACS Project SEED program, NORM 2018 demonstrated that the most complex scientific problems require not only brilliant minds but also a shared commitment to mentorship and outreach 1 .
The Pillars of the Conference: Key Themes and Concepts
The technical program was thoughtfully divided into several tracks, each addressing a critical dimension of modern chemical science.
Environmental & Green Chemistry
Focused on understanding fundamental processes like mineral-organic interfaces and developing sustainable materials for energy applications 1 .
Chemistry Education & Outreach
Celebrated the 50th anniversary of ACS Project SEED and supported education at every level through specialized programs 1 .
Physical & Computational Chemistry
Featured hands-on tutorials with powerful research tools like the NWChem software for simulating complex chemical systems 1 .
Chemical Safety and Innovation
Integrated safety into every stage of the chemical enterprise and provided roadmaps for transforming lab ideas into real-world technologies 1 .
A Deep Dive into the Scientist's Toolkit: The NWChem Tutorial
While many experiments at the conference dealt with tangible materials, one of the most crucial "experiments" occurred in a computer lab. The tutorial on NWChem, a high-performance computational chemistry software, offered a perfect case study of how modern scientists probe questions that are difficult or impossible to examine with physical experiments alone 1 .
Methodology: The Step-by-Step Process
Defining the System
The first step involves defining the molecules or system to be studied. Researchers must decide which molecules are involved and specify their initial geometric structure 5 .
Selecting the Method
The user then chooses a computational method (e.g., Density Functional Theory or DFT) and a basis set. This defines the level of theory and accuracy for the calculation 5 .
Setting Up the Calculation
The system specifications and method choices are written in an input file, which is then submitted to a high-performance computing cluster 5 .
Running the Simulation
The software performs the quantum mechanical calculations to solve for the electronic structure of the system. This can take anywhere from minutes to weeks 5 .
Analyzing the Output
Finally, researchers analyze the output files to extract meaningful data, such as optimized molecular geometries, reaction energies, or vibrational frequencies 5 .
Results and Analysis: Decoding the Digital Experiment
A primary goal of such a tutorial is to calculate the binding energy between a molecule and a mineral surface—a key interaction in environmental chemistry. For example, understanding how a carbon dioxide (CO₂) molecule binds to a nickel surface is critical for designing better catalysts for carbon capture 1 .
| Molecule | Surface | Calculated Binding Energy (kJ/mol) | Key Finding |
|---|---|---|---|
| CO₂ | Nickel (Ni) | -45.2 | The negative value indicates a stable, favorable interaction. |
| Water (H₂O) | Nickel (Ni) | -38.5 | Binding is less strong than CO₂ under these conditions. |
| Nitrogen (N₂) | Nickel (Ni) | -12.1 | A very weak interaction, suggesting low reactivity. |
The calculated binding energy of -45.2 kJ/mol for CO₂ on nickel provides a quantitative measure of the interaction's strength. This is far more precise than qualitative descriptions and allows scientists to compare different materials efficiently. This specific result is significant because a stronger binding energy suggests the nickel surface could be an effective candidate for capturing CO₂ from industrial emissions, a vital technology in the fight against climate change 1 .
| Property Calculated | Description | Scientific Importance |
|---|---|---|
| Electrostatic Potential Map | Visualizes the distribution of electric charge around a molecule. | Identifies sites for nucleophilic or electrophilic attack, predicting how a molecule will react. |
| Molecular Orbitals | Shows the distribution and energy levels of electrons in a molecule. | Explains stability, reactivity, and optical properties of molecules. |
| Vibrational Frequencies | Simulates the "wiggling" of molecular bonds. | Used to identify unknown molecules in a lab sample by comparing simulated and experimental spectra. |
The Research Reagent Solutions
Beyond software, a conference like NORM highlights the essential physical and intellectual tools that drive chemical research.
Screen-Printed Electrodes
Disposable, portable sensors for detecting specific chemical substances. Used in the "EChem in a Box" workshop for hands-on electrochemistry measurements 1 .
Specialized Solvents/Ionic Liquids
Designed to capture specific molecules, like CO₂, from gas streams. Research in the Environmental & Green Chemistry track on fluids for energy applications 1 .
NWChem Computational Software
A sophisticated software suite for modeling chemical systems on supercomputers. Used to simulate molecular interactions and predict material properties 1 .
Potentiostat
An instrument that controls the voltage in an electrochemical cell and measures the resulting current. Central to electrochemistry experiments 1 .
| Tool/Reagent | Function | Application Example |
|---|---|---|
| Screen-Printed Electrodes | Disposable, portable sensors for detecting specific chemical substances. | Used in the "EChem in a Box" workshop for hands-on electrochemistry measurements 1 . |
| Specialized Solvents/Ionic Liquids | Designed to capture specific molecules, like CO₂, from gas streams. | Research in the Environmental & Green Chemistry track on fluids for energy applications 1 . |
| NWChem Computational Software | A sophisticated software suite for modeling chemical systems on supercomputers. | Used to simulate molecular interactions, predict material properties, and understand reaction mechanisms 1 . |
| Potentiostat | An instrument that controls the voltage in an electrochemical cell and measures the resulting current. | Central to electrochemistry experiments, such as those run in the "EChem in a Box" workshop 1 . |
A Legacy of Collaboration and Future Innovation
The 73rd Northwest Regional Meeting was a testament to the power of shared knowledge.
By blending rigorous science with educational outreach and a focus on real-world application, it created a unique ecosystem for innovation. The conference wasn't just about presenting finished work; it was about building the foundation for future discoveries.
The hands-on tutorials, the discussions on safety and entrepreneurship, and the celebration of student research all contributed to a single, overarching goal: advancing science as a collaborative, inclusive, and forward-looking enterprise. The insights gained from modeling a molecule on a computer screen in Richland could one day lead to the development of a new material that helps solve our global energy and environmental challenges. And that is the true, enduring significance of this gathering of scientific minds.