Fig. 3: Graph representation of continuous-flow reactors. | Nature Communications

Fig. 3: Graph representation of continuous-flow reactors.

From: Artificial intelligence driven design of catalysts and materials for ring opening polymerization using a domain-specific language

Fig. 3

a Schematic representation of a continuous-flow reactor graph. Dotted boxes (Reactor A and Reactor B) denote elements belonging to a specific reactor wherein a chemical reaction takes place in the graph representation. Colors are used to differentiate nodes belonging to different reactors or the final terminal node in the reactor graph (Collection). See Supplementary Fig. 14 for an example of a reactor graph in CMDL syntax. b Sankey diagram reactor graph from a, where flow rate values have been assigned to the input nodes (Quench syringe, catalyst syringe, and monomer syringe) and propagated through the rest of the graph. Nodes in the Sankey diagram are color-coded to match those from Fig. 3a. Source data for b are provided as a Source Data file.

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