Synopsis
The enumeration of large, combinatorial search spaces presents a central conceptual difficulty in molecular design. To address this difficulty, we develop an algorithm which guarantees globally optimal solutions to a mixed-integer nonlinear programming formulation for molecular design. The formulation includes novel structural feasibility constraints while the algorithm provides all feasible solutions to this formulation through the implicit enumeration of a single branch-and-reduce tree. We use this algorithm to provide the complete solution set to the refrigerant design problem posed by Joback & Stephanopoulos (1990) In addition to rediscovering CFCs, the proposed methodology identifies a number of novel potential replacements of Freon 12. All of the identified alternatives are predicted to possess thermodynamic properties that would result in a more efficient refrigeration cycle than obtained via the use of Freon 12.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
Author information
Authors and Affiliations
Rights and permissions
Copyright information
© 2002 Springer Science+Business Media Dordrecht
About this chapter
Cite this chapter
Tawarmalani, M., Sahinidis, N.V. (2002). Refrigerant Design Problem. In: Convexification and Global Optimization in Continuous and Mixed-Integer Nonlinear Programming. Nonconvex Optimization and Its Applications, vol 65. Springer, Boston, MA. https://doi.org/10.1007/978-1-4757-3532-1_8
Download citation
DOI: https://doi.org/10.1007/978-1-4757-3532-1_8
Publisher Name: Springer, Boston, MA
Print ISBN: 978-1-4419-5235-6
Online ISBN: 978-1-4757-3532-1
eBook Packages: Springer Book Archive