feos-org/feos

Issues

• Fix unit bug in `quantum_d` Python getter of `SaftVRQMieParameter`

  #241 opened 2 months ago by g-bauer
  0

• Make critical point calculation more robust

  #236 opened 3 months ago by g-bauer
  0

• Access to I&EC Paper

  #140 opened a year ago by WarthogARJ
  5

• question about polar term in Heterosegmented gc-PCP-SAFT

  #230 opened 4 months ago by longemen3000
  2

• PC-SAFT vapor-liquid DFT solver

  #213 opened 5 months ago by DiegoTMelfi
  4

• Output the fraction of non-bonded association sites

  #210 opened 5 months ago by DiegoTMelfi
  2

• Feedback for users regarding the availability of binary interaction parameters

  #225 opened 5 months ago by prehner
  0

• Some jupyter notebooks throwing error

  #222 opened 5 months ago by defencedog
  2

• More derivatives at the same time

  #221 opened 5 months ago by ianhbell
  37

• association scheme variables Na, Nb, Nc

  #220 opened 5 months ago by iurisegtovich
  3

• How to calculate the thermal conductivity of mixtures

  #214 opened 6 months ago by fcyu0512
  2

• cutoff_radius limit not necessary in structured (periodic) porous media?

  #202 opened 7 months ago by RolfStierle
  1

• Performance improvements

  #163 opened a year ago by g-bauer
  0

• Can I use this package to calculate the critical points of binary mixture?

  #159 opened a year ago by RayleighSun
  12

• Question regarding the calculation of the ideal gas molar entropy

  #199 opened 8 months ago by LoGaL93
  2

• Polarizable models?

  #198 opened 8 months ago by ianhbell
  2

• Improve `Estimator` and `DataSet` objects

  #197 opened 8 months ago by g-bauer
  0

• `Parameter::from_multiple_json` fails when components exist in multiple files

  #193 opened 8 months ago by prehner
  0

• Check gc_pcsaft_functional notebook

  #180 opened 8 months ago by g-bauer
  0

• Adjust Joback parameters to work with new ideal gas treatment

  #194 opened 8 months ago by g-bauer
  0

• Can I use feos to plot pressure-density diagram of binary mixture?

  #192 opened 8 months ago by RayleighSun
  5

• How to obtain the pressure of dispersive term and that of repulsive term

  #187 opened 9 months ago by sunshineonleaf
  3

• PC-SAFT extensions on README

  #185 opened 10 months ago by ianhbell
  0

• Helping bubble points and dew points at given pressure to converge

  #184 opened 10 months ago by LoGaL93
  2

• Non integer number of segments for the homosegmented GC-PC-SAFT

  #183 opened 10 months ago by LoGaL93
  2

• Phase equilibria in pores

  #165 opened a year ago by prehner
  1

• Allow specification of phase in `DataSet` for dynamic properties for states that are generated for T,p

  #172 opened a year ago by g-bauer
  1

• Transparency of ideal gas model selection

  #109 opened a year ago by prehner
  0

• More general association schemes

  #143 opened a year ago by prehner
  1

• Association schemes

  #147 opened a year ago by marcosfelt
  2

• Theory guide: fundamental measure theory

  #148 opened a year ago by prehner
  0

• Theory guide: association

  #149 opened a year ago by prehner
  0

• The specific heat capacity of an ideal gas

  #156 opened a year ago by fcyu0512
  5

• Example on how to optimize parameters (m, sigma, epsilon_k) of PC-SAFT

  #168 opened a year ago by RayleighSun
  2

• Citations

  #139 opened a year ago by g-bauer
  1

• bug in the peng robinson helmholtz implementation

  #146 opened a year ago by iurisegtovich
  1

• C/C++ interface

  #141 opened a year ago by ianhbell
  2

• Third Virial Coefficient of uv-BH implementation returns NaN

  #123 opened a year ago by anreimer
  3

• PhaseDiagram.binary_vle() Unable to Calculation Binary Mixtures without Critical Point

  #125 opened a year ago by ErichMace
  2

• Missing argument in

  #131 opened a year ago by RolfStierle
  0

• Fix Python compatible `StateHD<D>`s and respective dual numbers

  #92 opened a year ago by g-bauer
  2

• Theory guide: pDGT

  #116 opened a year ago by prehner
  0

• Theory guide: Convolution integrals

  #121 opened a year ago by prehner
  0

• FeOs: Defining parameters including kij for general fitting of cubic EoS

  #91 opened a year ago by ErichMace
  1

• Enhancements for Python EoS tutorial

  #110 opened a year ago by g-bauer
  0

• Theory guide: Critical points

  #101 opened 2 years ago by prehner
  0

• core_dual_numbers example - confusion with units and references

  #105 opened a year ago by iurisegtovich
  1

• Theory guide: Properties

  #99 opened a year ago by prehner
  0

• Add second non-mixed derivative to `PartialDerivative` and `Dual2_64` to cache?

  #93 opened 2 years ago by g-bauer
  2

• Convergence problems with SAFT-VRQ-Mie in pores

  #87 opened 2 years ago by prehner
  0