• Refprop

  • Referenced in 40 articles [sw24947]
  • models for the thermodynamic properties of pure fluids: equations of state explicit in Helmholtz energy...
  • CoolProp

  • Referenced in 16 articles [sw27300]
  • state-of-the-art formulations of thermophysical properties is presented. The most-accurate thermodynamic properties ... been employed, including the extended corresponding states method. All of the thermophysical property correlations described...
  • GENERIC

  • Referenced in 32 articles [sw08150]
  • dissipative solids (generalized standard materials), the state of a material point is described by dissipative ... GENERIC allows for an efficient derivation of thermodynamically consistent coupled field equations, while revealing additional...
  • OPPDIF

  • Referenced in 13 articles [sw15840]
  • state form of the discretized equations. The CHEMKIN package evaluates chemical reaction rates and thermodynamic...
  • CRYSTAL09

  • Referenced in 4 articles [sw08388]
  • atomic orbitals, the elastic and the thermodynamic Gruneisen parameters of silver azide, which decrease with ... various cold equations of state of crystals and for the thermodynamic models used are, respectively...
  • pycalphad

  • Referenced in 1 article [sw27261]
  • CALPHAD method. It provides routines for reading thermodynamic databases and solving the multi-component, multi ... pycalphad software project advances the state of thermodynamic modeling by providing a flexible yet powerful...
  • HMTRA-SALT

  • Referenced in 1 article [sw10382]
  • contact angle. Salt precipitation in the state of thermodynamic equilibrium between dissolved and crystallized salt...
  • ChemSage

  • Referenced in 2 articles [sw19061]
  • calculation of thermodynamic functions, heterogeneous phase equilibria, and steady-state conditions for the simulation ... simple multistage reactors. The thermodynamic functions module calculates specific heat, enthalpy, entropy, and Gibbs energy ... with respect to a chosen reference state for a given phase and, if this phase...
  • SUPCRTBL

  • Referenced in 0 articles [sw18914]
  • have modified the accompanying computer code for thermodynamic calculations by using newly available properties ... version include: (1) updating the standard state thermodynamic properties for mineral end-members with properties...
  • SUPCRT92

  • Referenced in 4 articles [sw13444]
  • standard molal thermodynamic properties at 25°C and 1 bar, equation-of-state parameters, heat...
  • tFCA

  • Referenced in 1 article [sw17350]
  • Recently, we have shown that the steady-state assumption can be replaced by a weaker ... pathway model. We illustrate our method by thermodynamic flux coupling analysis (tFCA ... which allows studying steady-state metabolic models with loop-law thermodynamic constraints. These models...
  • jacobi2.0

  • Referenced in 7 articles [sw06052]
  • that the reversible part of motion of thermodynamically admissible models is described by Poisson brackets ... motion for arbitrary function(al)s on state space. For a nonassociative algebra obeyed...
  • BADGER

  • Referenced in 1 article [sw35427]
  • equation of state calculations can be done in local thermodynamic equilibrium...
  • TSolMod

  • Referenced in 4 articles [sw19062]
  • Phases-Solutions. Predicting the stability and thermodynamic properties of nonideal solution phases over wide ranges ... theoretically sound and sufficiently accurate equation of state and activity models are used within...
  • CHEPROO

  • Referenced in 1 article [sw37008]
  • conditions, biochemical state variables, etc.). The Chemical System class includes kinetic and thermodynamic models that...
  • COFOLD

  • Referenced in 1 article [sw17121]
  • takes co-transcriptional folding into account. Existing state-of-the-art methods that take ... predict the corresponding RNA secondary structure are thermodynamic methods. These aim to predict the most ... they are being transcribed. None of the thermodynamic methods, however, consider the process of structure ... into account. Our method significantly improves the state-of-art in terms of prediction accuracy...
  • von Bertalanffy

  • Referenced in 1 article [sw21891]
  • Bertalanffy 1.0: a COBRA toolbox extension to thermodynamically constrain metabolic models. Motivation: In flux balance ... uptake or secretion rates, the steady state mass conservation assumption and reaction directionality. Here ... application of the second law of thermodynamics to each reaction. Given experimental or computationally estimated...
  • ASTEM

  • Referenced in 1 article [sw31922]
  • FORTRAN IV subroutines to evaluate the state equations of liquid water and steam as published ... American Society of Mechanical  ngineers (1967). Any thermodynamic quantity including derivative properties can be obtained...
  • rna-state-inf

  • Referenced in 1 article [sw33162]
  • deep learning method for state inference. State predictions from a deep bidirectional LSTM are used ... secondary structure prediction via the Nearest Neighbor Thermodynamic Model (NNTM). This method produces predicted secondary ... highly dependent on the success of our state inference method, and investigating the global features...
  • GEMSFITS

  • Referenced in 1 article [sw41831]
  • internally consistent input parameters of chemical thermodynamic models against the experimental data. Is coupled with ... Gibbs Energy Minimization calculation of equilibrium states. Allows for bound, (non-)linear (in-)equality constrained...