发表机构
Friedrich-Alexander-Universität Erlangen-Nürnberg（埃尔朗根-纽伦堡弗里德里希·亚历山大大学）
机构由 AI 辅助整理，请以论文原文为准。AI 中文总结
该研究提出一种耦合合成与分离过程的数学优化模型，通过精确矩方法和局部优化实现金纳米颗粒的窄粒径分布设计，兼顾过程性能与经济目标。
AI 中文摘要
高质量纳米颗粒的设计要求生产具有窄粒径分布的材料，因为这些分布强烈影响最终产品的功能。为实现这一目标，考虑一个耦合的过程链是有用的，其中纳米颗粒首先被合成，随后通过色谱分离进行分级。我们提出了一种新颖的数学优化模型，用于耦合纳米颗粒合成与分离过程的集成优化。所提出的模型通过一个成本函数同时考虑过程性能和经济目标，该成本函数结合了生产成本和由颗粒质量定义的可实现利润。为了高效评估合成模型，我们采用了矩的精确方法。由此产生的非凸过程设计问题使用局部优化进行数值求解。我们方法的优化结果在典型金纳米颗粒的设计中得到了展示。计算结果表明，耦合合成-分离过程的优化解能够准确代表两个过程阶段，同时实现优化的颗粒质量。所提出的模型凸显了数学优化在耦合纳米颗粒生产过程链设计中的潜力。
英文摘要
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.
