TY - CPAPER AB - The combination of computer-aided molecular design(CAMD) with an organic Rankine cycle (ORC) power-systemmodel presents a powerful methodology that facilitates an in-tegrated approach to simultaneous working-fluid design andpower-system thermodynamic or thermoeconomic optimisation.Existing CAMD-ORC models have been focussed on simplesubcritical, non-recuperated ORC systems. The current workintroduces partially evaporated or trilateral cycles, recuperatedcycles and working-fluid mixtures into the ORC power-systemmodel, which to the best knowledge of the authors has not beenpreviously attempted. A necessary feature of a CAMD-ORCmodel is the use of a mixed-integer non-linear programming(MINLP) optimiser to simultaneously optimise integer working-fluid variables and continuous thermodynamic cycle and eco-nomic variables. In this paper, this feature is exploited by in-troducing binary optimisation variables to describe the cycle lay-out, thus enabling the cycle architecture to be optimised along-side the working fluid and system conditions. After describingthe models for the alternative cycles, the optimisation problemis completed for a defined heat source, considering hydrocar-bon working fluids. Two specific case studies are considered,in which the power output from the ORC system is maximised.These differ in the treatment of the minimum heat-source outlettemperature, which is unconstrained in the first case study, butconstrained in the second. This is done to replicate scenariossuch as a combined heat and power (CHP) plant, or applicationswhere condensation of the waste-heat stream must be avoided.In both cases it is found that a working-fluid mixture can per-form better than a pure working fluid. Furthermore, it is foundthat partially-evaporated and recuperated cycles are optimal forthe unconstrained and constrained case studies respectively. AU - White,MT AU - Oyewunmi,OA AU - Haslam,A AU - Markides,C PB - ICHMT PY - 2017/// TI - Exploring optimal working fluids and cycle architectures for organic Rankine cycle systems using advanced computer-aided molecular design methodologies UR - http://hdl.handle.net/10044/1/48804 ER -