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A conceptual model for chemical product design
Author(s) -
Bernardo Fernando P.,
Saraiva Pedro M.
Publication year - 2015
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.14681
Subject(s) - computer science , inversion (geology) , product design , conceptual design , product (mathematics) , simple (philosophy) , biochemical engineering , process (computing) , chemical process , systems engineering , management science , process engineering , engineering , chemistry , mathematics , organic chemistry , paleontology , philosophy , geometry , epistemology , structural basin , human–computer interaction , biology , operating system
The fundamental principles of chemical product design and associated systematic tools, within a broad domain of chemical products including molecules, formulations, and devices, are still under development. In this article, we propose a simple and fundamental conceptual model that defines the chemical product design problem as the inversion of three central design functions: quality, property, and process functions. The classic iterative cycles of product design problems may be envisioned as alternating between inversion and evaluation of these three functions, or in other words alternating between synthesis and analysis of solutions. On top of the proposed basic structure of the overall design problem, we then discuss the formulation of some subproblems as optimization problems and describe some useful solution tools. Three application examples are provided, including a more detailed case of formulation of a pharmaceutical ointment. © 2014 American Institute of Chemical Engineers AIChE J , 61: 802–815, 2015