This work presents
a Computer-Aided Molecular Design (CAMD) method for the synthesis
and selection of binary working fluid mixtures used in Organic Rankine
Cycles (ORC). The method consists of two stages, initially seeking
optimum mixture performance targets by designing molecules acting
as the first component of the binaries. The identified targets are
subsequently approached by designing the required matching molecules
and selecting the optimum mixture concentration. A multiobjective
formulation of the CAMD-optimization problem enables the identification
of numerous mixture candidates, evaluated using an ORC process model
in the course of molecular mixture design. A nonlinear sensitivity
analysis method is employed to address model-related uncertainties
in the mixture selection procedure. The proposed approach remains
generic and independent of the considered mixture design application.
Mixtures of high performance are identified simultaneously with their
sensitivity characteristics regardless of the employed property prediction
method.
Efficient power generation from low to medium grade heat is an important challenge to be addressed to ensure a sustainable energy future. Organic Rankine Cycles (ORCs) constitute an important enabling technology and their research and development has emerged as a very active research field over the past decade. Particular focus areas include working fluid selection and cycle design to achieve efficient heat to power conversions for diverse hot fluid streams associated with geothermal, solar or waste heat sources. Recently, a number of approaches have been developed that address the systematic selection of efficient working fluids as well as the design, integration and control of ORCs. This paper presents a review of emerging approaches with a particular emphasis on computer-aided design methods.
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