Grantee Research Project Results
Machine-Learning-Assisted Development of Alternatives to Diarylide Pigments
EPA Contract Number: 68HERC22C0032Title: Machine-Learning-Assisted Development of Alternatives to Diarylide Pigments
Investigators: Saikin, Semion
Small Business: Kebotix, Inc.
EPA Contact: Richards, April
Phase: I
Project Period: December 1, 2021 through May 31, 2022
Project Amount: $99,910
RFA: Small Business Innovation Research (SBIR) Phase I (2022) RFA Text | Recipients Lists
Research Category: Small Business Innovation Research (SBIR) , SBIR - Toxic Chemicals
Description:
The goal of the proposed effort is to develop polychlorinated biphenyls (PCB)-free yellow pigments and synthetic pathways that do not unintentionally generate PCB as byproducts. This effort will harness Kebotix’s existing AI- powered platform, which includes a workflow that controls high throughput computational modeling of molecules and materials, proprietary machine learning methods for process control and optimization, deep-learning algorithms for prediction of molecular properties, generative models, as well as automated high-throughput preparation and characterization capabilities. The proposed closed-loop approach to design and discovery of pigments is uniquely efficient because it will intentionally include molecular properties (e.g., optical and thermal) and materials compatibility in the generation of virtual libraries. In turn, this approach will translate into a reduced cost of pigment design and discovery. Kebotix has already generated preliminary results and engaged a number of companies all of whom have expressed interest in testing and buying new halogen- and heavy metal-free pigments that our technology discovers and develops.
Increasing demand from various industries, such as textiles, plastics, paint and coatings, and construction, is expected to drive growth. Data suggest that the use of pigments and dyes is significantly contributing to the global distribution of PCBs, which are synthetic chemicals that do not occur naturally. Thus, there is an increasing need to actively use advance technologies to discover new materials and manufacturing routes that do not produce PCBs and other toxic by products. Intentional manufacture of PCBs has been banned throughout the developed world. However, they are still generated during the production of certain classes of pigments.
Progress and Final Reports:
SBIR Phase II:
Machine-learning-assisted development of PCB-free alternatives to commodity pigments | Final ReportThe perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Conclusions drawn by the principal investigators have not been reviewed by the Agency.