(666d) Integrated Computational Design of Cosmetic Products

Increased competition and globalized market dynamics have driven the accelerated growth of chemical industry [1]; consequently, different investigations have been directed in order to propose new resources in manufacture of high added-value products [2]. This work presents the implementation, in PYOMO^®, of computational tool for integrated design of structured cosmetic products and its application in moisturizing lotion formulation.

The consumer-oriented products design requires a multiscale approximation, since the properties are closely related to molecular interactions that describe its microscopic and macroscopic structure [3]. Owing to the essential of multiscale observation approach, an integration of systemic procedures was performed in order to consider involved processes at different levels in product design; therefore, the tool was developed from an approximation defined by three modules:

• Surfactant Module: In charge of defining the surfactant (or mixture of surfactants) in order to specify molecular interactions that allows obtaining an appropriate surface tension and emulsion stability [4].
• Rheology Module: Defines the microstructure and macrostructure of emulsion from molecular scale with view to know its rheological properties [5].
• Consumer Module: Integrates a consumption preferences model based on sensory perception of customer and an economic model that aims at economic utility using market parameters [6].

In regard with previous ideas, this tool facilitates the design by projecting an appropriate formulation of cosmetic product, making it possible through an integrated optimization model raised to specify the variables of proposed modules, in quest of an optimal formulation, considering two objective functions according to user's requirements:

• Economic Function: Allows finding the product formulation and mass fractions per component focused on obtaining the maximum economic yield, taking into account the costs of manufacture, price and demand of the product.
• Preference function: Indicates the product formulation and mass fractions per component aimed at obtaining the maximum acceptance by consumer, according to established preferences parameters.

In conclusion, the implementation of this computational tool for integrated design of products is of great interest in the cosmetic industry; its importance lies in the optimization model that considers the interactions of proposed modules, for the purpose of generate a solid base in structured products formulation by simulations and thus reduce the resource spending in experimental design phases. Being a tool based on open source software with a flexible methodology brings with it certain advantages, it is not only possible to include new modules of interest according to the requirements of product design, but it also sets the basis for parallel developments of similar tools oriented to different Industries such as pharmaceuticals and food.

References

[1]	B. V. Smith y M. G. Lerapepritou, «Integrative chemical product design strategies: Reflecting industry trends and challenges,» Computers & Chemical Engineering, vol. 34, nº 6, pp. 857-865, 2010.
[2]	E. Cussler y G. Moggridge, Chemical Product Design, Cambridge: Cambridge University Press, 2011.
[3]	R. Gani, «Chemical product design: challenges and opportunities,» Computers & Chemical Engineering, vol. 28, nº 12, p. 2441–2457, 2004.
[4]	C. Wibowo y K. Ng, «Product-oriented process synthesis and development: Creams and pastes,» AIChE Journal, vol. 47, nº 12, pp. 2746 - 2767, 2001.
[5]	M. Mattei, G. Kontogeorgis y R. Gani, «A comprehensive framework for surfactant selection and design for emulsion based chemical product design,» Fluid Phase Equilibria, vol. 362, nº 25, pp. 288 - 299, 2014.
[6]	M. Bagajewicz, S. Hill, A. Robben, L. Heyde, M. Sanders, E. Sposato, C. Baade, S. Manora y J. Coradin, « Product Design in Price-Competitive Markets: A case study of a Skin Moisturizing Lotion,» AIChE Journal, vol. 57, nº 1, pp. 160 - 177, 2011.