SMITH: differential homotopy and automatic differentiation for computing thermodynamic diagrams of complex mixtures.
31st European Symposium on Computer Aided Process EngineeringComputer Aided Chemical Engineering（2021）
Abstract
This paper presents SMITH, the working prototype of a new code which significantly improves the accuracy of thermodynamic diagrams thanks to the highly performant numerical technologies including differential homotopy and automatic differentiation.
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Key words
thermodynamic diagrams,complex mixtures,differential homotopy,automatic differentiation
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