Model-Guided Design of Nanoparticle Dispersity through Process-Chain Optimization
Abstract
The design of high-quality nanoparticles requires the production of materials with narrow particle size distributions, as these strongly influence the functionalities of the final product. To achieve this goal, it is useful to consider a coupled process chain in which nanoparticles are first synthesized and subsequently fractionated by chromatographic separation. We introduce a novel mathematical optimization model for the integrated optimization of coupled nanoparticle synthesis and separation processes. The proposed model simultaneously accounts for process performance and economic objectives through a cost function that incorporates both production costs and achievable profit defined by the particle quality. For efficient evaluation of the synthesis model, we employ the exact method of moments. The resulting non-convex process-design problem is solved numerically using local optimization. Optimization results of our approach are demonstrated for the prototypical design of gold nanoparticles. The computational results show that optimized solutions of the coupled synthesis--separation process are capable of accurately representing both process stages while achieving optimized particle quality. The proposed model highlights the potential of mathematical optimization for the design of coupled nanoparticle production process-chains.
Related
- Improved Regret Analysis for Parallel Gaussian Process Bandit Optimization
- Optimization of a Perturbed Implicit Sweeping Process by Constrained Discontinuous Controls
- Exploration strategies for Gaussian process bandit optimization with inference regret guarantees
- Distributed Convex Second-Order Optimization for AC/DC Hybrid Distribution Systems within PROcess Orchestration Framework
- Reduced-Space Multi-Fidelity Bayesian Optimization of Process Simulation Models
BibTeX
@misc{gilch2026modelguided,
title = {{Model-Guided Design of Nanoparticle Dispersity through Process-Chain Optimization}},
author = {Andrea Gilch and Nabi E. Traoré and Frauke Liers and Lukas Pflug},
howpublished = {arXiv},
year = {2026},
month = oct,
doi = {10.48550/arxiv.2610.06155},
eprint = {2610.06155},
archivePrefix = {arXiv},
url = {https://arxiv.org/abs/2610.06155},
}
RIS
TY - UNPB
TI - Model-Guided Design of Nanoparticle Dispersity through Process-Chain Optimization
AU - Andrea Gilch
AU - Nabi E. Traoré
AU - Frauke Liers
AU - Lukas Pflug
PY - 2026
DA - 2026/10/05
PB - arXiv
DO - 10.48550/arxiv.2610.06155
UR - https://arxiv.org/abs/2610.06155
AB - The design of high-quality nanoparticles requires the production of materials with narrow particle size distributions, as these strongly influence the functionalities of the final product. To achieve this goal, it is useful to consider a coupled process chain in which nanoparticles are first synthesized and subsequently fractionated by chromatographic separation. We introduce a novel mathematical optimization model for the integrated optimization of coupled nanoparticle synthesis and separation processes. The proposed model simultaneously accounts for process performance and economic objectives through a cost function that incorporates both production costs and achievable profit defined by the particle quality. For efficient evaluation of the synthesis model, we employ the exact method of moments. The resulting non-convex process-design problem is solved numerically using local optimization. Optimization results of our approach are demonstrated for the prototypical design of gold nanoparticles. The computational results show that optimized solutions of the coupled synthesis--separation process are capable of accurately representing both process stages while achieving optimized particle quality. The proposed model highlights the potential of mathematical optimization for the design of coupled nanoparticle production process-chains.
ER -