Is it possible to model emerging pollutants (PFAS, PUFs, amines, etc.)?

Is it possible to model emerging pollutants (PFAS, PUFs, amines, etc.)?


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Emerging pollutants are newly identified chemical substances that may impact health or the environment but are not yet—or are only partially—addressed by regulations. They can originate from various sources, such as industry, agriculture, vehicles, and consumer products. Their emergence is often linked to evolving industrial practices, consumption patterns, and technologies. Some of these emissions occur in the atmosphere.

Despite being classified as "emerging", current modeling tools are nonetheless capable of simulating their dispersion in environmental impact studies. For many of these pollutants, their physicochemical behavior in the atmosphere requires no special adjustments; they can be modeled using standard methods, similar to those applied to compounds such as polycyclic aromatic hydrocarbons (PAHs), particulate-phase metals, or odors.


Is it possible to model emerging pollutants (PFAS, PUFs, amines, etc.)?

Which pollutants are we talking about?

A large number of substances can be classified as emerging pollutants, including:


Can their atmospheric dispersion be modeled using current tools?

For most of these compounds, provided their emission rates are known, the answer is yes.

To date, when using local-scale modeling tools such as ADMS, modeling the dispersion of these emerging pollutants presents no greater difficulty than modeling currently regulated pollutants like PAHs or metals.

Challenges may arise regarding the emission process and how it is configured within a dispersion model typically used for impact assessments; for instance, pesticide spraying might require representing the emission source as a volumetric emission, which entails the difficulty of estimating the concentration within that initial volume.

Regarding atmospheric transport, modeling difficulties arise if rapid physicochemical changes occur that need to be accounted for in the model. This is the case with amines, where rapid transformation produces toxic secondary compounds. For such cases, the ADMS model features a specific module dedicated to the dispersion of these compounds.

In the vast majority of cases, dispersion modeling using a chemical tracer approach is feasible. For compounds capable of transitioning between gas, particulate, and semi-volatile phases, the standard modeling approach often applied to certain regulated pollutants can be used—namely:


For the particulate phase, models such as ADMS allow for the configuration of particle size and density based on the specific emission being studied.

Finally, for certain particulate species—such as PUFs—the particle size is such that their behavior actually resembles gas dispersion; consequently, they do not present any specific modeling challenges.


NUMTECH Support

Are you wondering about the feasibility of modeling the atmospheric dispersion of a specific compound? Please feel free to contact us to discuss the capabilities of the tools you already use—such as ADMS—or to explore the solutions best suited to your needs.

Do you use ADMS? If your training took place some time ago, or if your team composition has changed, consider a refresher course to discover the software's latest features and update your skills.


We can also provide support through consultancy and study services, including R&D projects eligible for the Research Tax Credit (CIR accreditation). These services may specifically address emerging pollutants that require adapting existing atmospheric dispersion tools to meet your specific needs.

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