Material properties and processing in chemical product design

Picchioni, Francesco; Broekhuis, Antonius

doi:10.1016/j.coche.2012.08.002

Cited by 9 publications

(3 citation statements)

References 47 publications

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“…Many authors have come up with formulation design frameworks. A generic framework for chemical product design [10], also applicable to formulated products; starts with identification of consumer needs [17], translating these needs to chemical/physical properties [2,18,19,20], to manufacturing that product [3,11,21]. Design frameworks focusing on formulated product design, discuss all three steps in formulated product design namely, generate, test, and make [3,5,15,17,20,21,11] but often without considering automated or robotic labs for the make step and without in-silico realization of test step.…”

Section: Formulation Design Frameworkmentioning

confidence: 99%

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Integrated “Generate, Make, and Test” for Formulated Products using Knowledge Graphs

et al. 2021

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In the multi-billion dollar formulated product industry, state of the art continues to rely heavily on experts during the generate, make and test steps of formulation design. We propose automation aids to each of these steps with a knowledge graph of relevant information as the central artefact. The generate step usually focuses on coming up with new recipes for intended formulation. We propose to aid the experts who generally carry out this step manually, by providing a recommendation system and a templating system on top of the knowledge graph. Using the former, the expert can create a recipe from scratch using historical formulations and related data. With the latter, the expert starts with a recipe template created by our system and substitutes the requisite constituents to form a recipe. In the current state of practice, the three steps mentioned above operate in a fragmented manner wherein observations from one step do not aid other steps in a streamlined manner. Instead of manually operated labs for the make and test steps, we assume the use of automated or robotic labs and in-silico testing respectively. Using two formulations namely, face cream and an exterior coating, we show how the knowledge graph may help integrate and streamline the communication between the generate, the make, and the test steps. Our initial exploration shows considerable promise.

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Section: Formulation Design Frameworkmentioning

confidence: 99%

“…For ingredient synonyms, we use sites such as Wikipedia 18 , PubChem 19 [56], Chebi 20 , and ChemSpider 21 . We extract following details:…”

Section: Formulated Products Datamentioning

confidence: 99%

Integrated “Generate, Make, and Test” for Formulated Products using Knowledge Graphs

et al. 2021

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“…Over the past decade, chemical product engineering as a new field in the chemical engineering discipline has gained a lot of attention. The main reason for this attractive emerging paradigm is to satisfy the rapidly evolving industrial demands for the growing specialty of chemical products . The first book on chemical product design by Cussler and Moggridge provided the insight for chemical engineers to manufacture products with customer demand .…”

Section: Introductionmentioning

confidence: 99%

A novel fluorinated polymeric product for photoreversibly switchable hydrophobic surface

Zhou

Zhang

et al. 2014

AIChE Journal

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A new chemical product, that is, photoreversibly switchable hydrophobic surface coating, was synthesized by atom transfer radical polymerization and graft-from method based on molecular design. Focusing on the strategy of new product development from the chemical product engineering perspective, the product characterization, switching mechanism analysis, performance evaluation, and model interpretation were carried out to confirm the new product manufacture and to ensure the product application with a following aging test. The results show that the product enables surfaces to have reversibly switchable wettability and excellent stability after a month-long test with eight irradiation cycles. Additionally, the wetting behavior of silicon surface can be tuned between hydrophilicity and hydrophobicity based on blank sample using the surface engineering technique (decorated with functional film and surface roughening). The product presented here can be utilized for constructing a hydrophobic surface with photo-induced controllable wettability in moisture-resistance, and it also offers a new technique for the manipulation of liquids in microfluidic devices. Figure 4. Photographs of WCA on flat silicon and etched silicon substrates: blank ( A1 and B1); decorated by random brushes copolymer before UV irradiation (A2 and B2); decorated by random brushes copolymer after UV irradiation for 30 min (A3 and B3).

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Chemical Product Design and Engineering

Costa

Gabriel

Saraiva

et al. 2014

Kirk-Othmer Encyclopedia of Chemical Technology

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Today's chemical industry has goals that range from commodity chemicals to diverse high value added engineered chemical products, such as an exfoliating gel, a disposable nappy or an artificial heart valve. In response to these goals, chemical product engineering has been emerging within chemical engineering. In this chapter, chemical product engineering is described as a body of knowledge structured in terms of three main pillars: the chemical product pyramid; chemical product design and process design integration; and multifaceted multiscale approach. According to this conceptual model, these pillars support chemical product design as the central objective and operational facet of chemical product engineering. A six step template for chemical product design is also presented here. This template starts with the identification of the customer needs a successful product must be able to satisfy, followed by the translation of these needs into objective, quantitative terms. It then proceeds to the generation and selection of alternative product ideas, culminating with the full specification of the product functionality and characteristics. As chemical product engineering increases in importance, it needs systematization and heuristics, just as the well‐established traditional process engineering field has. Chemical products are immensely varied and the conceptual model and template discussed here do not offer a panacea; but they provide a framework within which thinking and practice are possible.

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Material properties and processing in chemical product design

Cited by 9 publications

References 47 publications

Integrated “Generate, Make, and Test” for Formulated Products using Knowledge Graphs

Integrated “Generate, Make, and Test” for Formulated Products using Knowledge Graphs

A novel fluorinated polymeric product for photoreversibly switchable hydrophobic surface

Chemical Product Design and Engineering

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