A Systematic Methodology for Design of Emulsion Based Chemical Products

Mattei, Michele; Kontogeorgis, Georgios M.; Gani, Rafiqul

doi:10.1016/b978-0-444-59507-2.50036-6

“…The framework, which includes model-and experiment-based stages interacting with each other, is inspired by the approach proposed by Ng et al 13 and its extension for the solution of problems involving homogeneous formulated products by Conte et al 14 All three stages play very important roles and crucial in this methodology are also the databases and property models used especially in the model-based design stage. Although aspects of this methodology and some case study applications (limited to Stages 1 and 2) have been briefly presented previously, [15][16][17][18] a more comprehensive presentation is offered in this study and a fully worked out case study, which will include all three stages of the product design outlined in Figure 1. First of all, in this section, a presentation of all three stages is given, including their interrelations.…”

Section: Methodology and Toolsmentioning

confidence: 99%

“…Two case studies involving the design of consumer products in the emulsified form have been previously developed and presented; a UV-sunscreen 17 and a tank cleaning detergent. 18 The methodology we have illustrated has been applied in all cases, but no experimental validation has been made; only Tasks 3.1 and 3.2 of Stage 3 (see Supporting Information) have been considered, as the actual experimental work has not been performed.…”

Section: The Case Study Of Hand Wash Detergentmentioning

confidence: 99%

An Integrated Approach for the Design of Emulsified Products

Kontogeorgis

¹

,

Mattei

²

,

Ng

³

et al. 2018

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in Wiley Online Library (wileyonlinelibrary.com)Consumer-oriented chemical-based products, including emulsified ones, are structured products constituted by numerous chemicals, and they are used every day by millions of people. They are still mainly designed through trial-and-error-based experimental techniques. A systematic approach, integrating model-and experiment-based techniques, for design of these products could significantly reduce both time and cost connected to product development by doing only the necessary experiments and ensuring chances for innovation. In this work, we present an integrated methodology for the design of emulsified formulated products. The methodology consists of three stages: the problem definition stage, the model-based design stage, and the experiment-based verification stage. In the problem definition stage, the consumer needs are translated into a set of target thermophysical properties and into a list of categories of ingredients, which are to be included in the formulation via a robust knowledge base. In the model-based design stage, structured databases, dedicated algorithms, and a property model library are employed for designing a candidate base case formulation. Finally, in the experimentbased verification stage, the properties and performances of the proposed formulation are measured by means of tailormade experiments. The formulation is then validated or, if necessary, refined thanks to a systematic list of actions. All these tools have been implemented as a new template in our in-house software called the Virtual Product-Process Design Laboratory and have been illustrated via a case study (a hand wash detergent) where the complete methodology (all three stages) is for the first time applied. Figure 4. The workflow of the model-based Stage 2 for the design of emulsified formulated products.

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“…One of the most common types of chemical goods in the B2C market is emulsion-based products [22]. Emulsions are a type of the colloidal system made of two immiscible liquid phases.…”

Section: Introductionmentioning

confidence: 99%

A Multiscale Approach to the Design and Manipulation of Oil-in-Water Emulsion-Based Products

Gomez

¹

,

Pradilla

²

,

Álvarez

³

2021

International Journal of Chemical Engineering

1

0

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Advances in computational technology and high-throughput modeling software have given rise to the tailored design of products that require accurate mathematical relationships for their assessment. Industrial emulsion-based products, ubiquitous to everyday life, are complex systems driven by interfacial phenomena that require quick property-prediction tools for their commercialization. In this work, by means of a multiscale approach, mathematical relationships to model oil-in-water emulsions and that can be applied to any commercial emulsion-based product are proposed. The energy consumption during the emulsification process ( E v , which transitions from monotonic increase to exponential growth at 80% w / w ), a parameter responsible for finished product performance, was linked to final product properties at three different levels: (i) molecular, through the dynamics of the interdroplet interactions given their distribution and structure at a microscopic level; (ii) microscopic, through average droplet size yielding an inversely proportional exponential relationship ( D 4,3 ∝ E v − 4 ); and (iii) macroscopic, through the plateau value of the elastic modulus and the flow behavior index leading to inversely proportional quadratic relationships ( G ′ ∝ E v − 2 and η ∝ E v − 2 , respectively). These relationships are valid at dispersed phase concentrations beyond the 60% w / w threshold where the packing of the droplets changes the emulsion’s microscopic structure giving rise to Van der Waals forces-driven phenomena. Finding this threshold allowed expanding the concentration ranges of previously reported models. The main expectation is that these results will aid researchers and process/product designers to optimize their work in different industrial applications.

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“…Because quality factors are sometimes qualitative or subjective, performance metrics need to be established. To improve the traditional trial‐and‐error procedure during this phase, many authors have developed a knowledge basis for the identification of the consumer needs, the inclusion of suitable categories of ingredients, and the desired end‐use properties, particularly in the case of cosmetics and personal care products 7‐14 . In the context of emulsions, Mattei et al 14 proposed such a knowledge basis, including consumer needs, categories of ingredients, and product properties with target values and intervals of acceptance.…”

Section: Introductionmentioning

confidence: 99%

Design of formulated products integrating heuristic knowledge and consumer assessment

Arrieta‐Escobar

¹

,

Camargo

²

,

Morel

³

et al. 2020

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This work proposes a systematic approach for the design of formulated products incorporating consumer assessment and heuristic knowledge. The methodology is divided into two main phases: Consumer assessment and product realization. In the first part, product attributes valued by consumers and their interactions are identified through usability tests performed on a reference product, and fuzzy integral analysis. In the second phase, alternative product formulations are generated using a mixedinteger optimization approach, which incorporates heuristic rules regarding the choice of ingredients and their amounts. The results from the consumer assessment phase are transformed into additional heuristics and incorporated into the design. Different alternative formulations are generated at a lab-scale, by using two commercial skin moisturizers as references. Those formulations that included additional heuristics are shown to be more similar to the references. As a result, the incorporation of consumer preferences significantly reduced the time and resources spent on the design process.

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A Systematic Methodology for Design of Emulsion Based Chemical Products

Cited by 21 publications

References 11 publications

An Integrated Approach for the Design of Emulsified Products

An Integrated Approach for the Design of Emulsified Products

A Multiscale Approach to the Design and Manipulation of Oil-in-Water Emulsion-Based Products

Design of formulated products integrating heuristic knowledge and consumer assessment

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