The SABYDOMA Safety by Process Control framework for the production of functional, safe and sustainable nanomaterials

IF 3.9 2区 工程技术 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS
Argyri Kardamaki , Athanassios Nikolakopoulos , Mihalis Kavousanakis , Philip Doganis , Matt Jellicoe , William Stokes , Vesa Hongisto , Matthew Simmons , Thomas W. Chamberlain , Nikil Kapur , Roland Grafström , Andrew Nelson , Haralambos Sarimveis
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引用次数: 0

Abstract

The production of nanomaterials (NMs) has gained significant attention due to their unique properties and versatile applications in fields such as medicine, energy, and electronics. However, ensuring the large-scale synthesis of safe and sustainable NMs while maintaining their functionality remains a critical challenge. This study introduces the Safety by Process Control (SbPC) framework, a novel methodology integrating dynamic first-principles modeling, Model Predictive Control (MPC), and real-time safety monitoring. The framework employs a physics-based population balance model with a Method Of Moments (MOM) approximation to predict the evolution of key NM properties. A toxicity inferential sensor, built on experimental data, is integrated to facilitate real-time hazard assessment. The efficiency of the proposed framework is demonstrated using a continuous silver nanoparticle (Ag NP) production system as a case study. The proposed approach ensures the production of high-quality, safe, and sustainable NMs, aligning with Safe and Sustainable by Design (SSbD) principles and addressing gaps in current NM manufacturing processes. The framework’s adaptability to other NM types highlights its potential as a transformative tool for sustainable nanotechnology.
SABYDOMA安全过程控制框架,用于生产功能,安全和可持续的纳米材料
纳米材料(NMs)的生产由于其独特的性能和在医学、能源和电子等领域的广泛应用而受到了极大的关注。然而,确保大规模合成安全和可持续的纳米材料,同时保持其功能仍然是一个关键的挑战。本研究介绍了过程控制安全(SbPC)框架,这是一种集成了动态第一性原理建模、模型预测控制(MPC)和实时安全监测的新方法。该框架采用基于物理的种群平衡模型和矩量法(MOM)近似来预测关键NM属性的演变。集成了基于实验数据的毒性推断传感器,以方便实时危害评估。以连续纳米银(Ag NP)生产系统为例,证明了该框架的有效性。所提出的方法确保了高质量、安全和可持续的纳米材料的生产,符合安全与可持续设计(SSbD)原则,并解决了当前纳米材料制造工艺的差距。该框架对其他纳米技术类型的适应性突出了它作为可持续纳米技术变革工具的潜力。
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来源期刊
Computers & Chemical Engineering
Computers & Chemical Engineering 工程技术-工程:化工
CiteScore
8.70
自引率
14.00%
发文量
374
审稿时长
70 days
期刊介绍: Computers & Chemical Engineering is primarily a journal of record for new developments in the application of computing and systems technology to chemical engineering problems.
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