Machine earning-aided Process Design for Formulated Products

被引:3
|
作者
Cao, Liwei [1 ,2 ]
Russo, Danilo [1 ]
Mauer, Werner [3 ]
Gao, Huan Huan [4 ]
Lapkin, Alexei A. [1 ,2 ]
机构
[1] Univ Cambridge, Dept Chem Engn & Biotechnol, Cambridge CB3 0AS, England
[2] CARES Ltd, Cambridge Ctr Adv Res & Educ Singapore, 1 CREATE Way,CREATE Tower 05-05, Singapore 138602, Singapore
[3] BASF Personal Care & Nutr GmbH, D-40589 Duesseldorf Holthausen, Germany
[4] BASF Adv Chem Co Ltd, 300 Jiangxinsha Rd, Shanghai 200137, Peoples R China
基金
新加坡国家研究基金会; 英国工程与自然科学研究理事会;
关键词
robotic experiments; closed loop optimization; multiobjective optimization; formulated product; process design; SOLVENTS; OPTIMIZATION; METHODOLOGY; KNOWLEDGE; FRAMEWORK; MOLECULES; SELECTION;
D O I
10.1016/B978-0-12-823377-1.50299-8
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
Robotic experiments were coupled with the previously published Thompson Sampling Efficient Multiobjective Optimization (TS-EMO) algorithm, using a batch sequential design approach, in order to optimize the composition and the process conditions of a commercial formulated product. The algorithm was trained with a previously collected data set used to optimize the formulation without taking into account the influence of the process conditions. The target was to obtain a clear homogeneous formulation within a certain viscosity range, minimizing the cost of the adopted ingredients. The GP surrogate models used in the algorithm were found suitable to model the complex unknown relationship between the input space and the outputs of interest, identifying suitable samples with a general decrease in the formulation price, needed mixing power, and process time. The proposed methodology can lead to quicker product design and therefore can generate considerable profit increase with an early product release time.
引用
收藏
页码:1789 / 1794
页数:6
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