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thermodynamics

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alongd
alongd commented Jun 28, 2021

Is your feature request related to a problem? Please describe.
When running many species / reaction in ARC, it is often helpful to trace the history of a single species or TS. THe current log file is too large to do that conveniently.

Describe the solution you'd like
Create a log file in the output folder of each species / TS with the relevant data.

User Defined Functions for multi-component thermodynamic calculations of the Predictive Peng-Robinson 1978 Equation of State. Clean VBA functions - no UI changes and no pop up messages. Errors are reported in cell comments. Import Math.bas, ModArraySupport.bas and ChemE_Functions.bas into PData.xlsx and save as xlsm or simply download PData.xlsm.

  • Updated Oct 18, 2018
  • Visual Basic
longemen3000
longemen3000 commented Sep 16, 2020

This issue is for requesting new symbols for thermodynamic properties used in the construction of a thermodynamic state. at the moment, the symbols are contained in the KW_TO_SPEC constant:

const KW_TO_SPEC = IdDict{Symbol,Any}(
:h =>  Enthalpy{MOLAR}()
,:g =>  Gibbs{MOLAR}()
,:a =>  Helmholtz{MOLAR}()
,:u =>  InternalEnergy{MOLAR}()

,:mol_h =>  Enthalpy{MOLAR}()
,:mol_g =>  G

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