feos-org · prehner · Apr 20, 2023 · Feb 7, 2023 · Feb 7, 2023 · Apr 14, 2023
diff --git a/docs/theory/eos/properties.md b/docs/theory/eos/properties.md
@@ -92,6 +92,9 @@ The table below lists all properties that are available in $\text{FeO}_\text{s}$
 | Joule Thomson coefficient $\mu_\mathrm{JT}$ | $\left(\frac{\partial T}{\partial p}\right)_{H,n_i}$ | no |
 | Isentropic compressibility $\kappa_s$ | $-\frac{1}{V}\left(\frac{\partial V}{\partial p}\right)_{S,n_i}$ | no |
 | Isothermal compressibility $\kappa_T$ | $-\frac{1}{V}\left(\frac{\partial V}{\partial p}\right)_{T,n_i}$ | no |
+| Isenthalpic compressibility $\kappa_h$ | $-\frac{1}{V}\left(\frac{\partial V}{\partial p}\right)_{H,n_i}$ | no |
+| Thermal expansivity $\alpha_p$ | $-\frac{1}{V}\left(\frac{\partial V}{\partial T}\right)_{p,n_i}$ | no |
+| Grüneisen parameter $\phi$ | $V\left(\frac{\partial p}{\partial U}\right)_{V,n_i}=\frac{v}{c_v}\left(\frac{\partial p}{\partial T}\right)_{v,n_i}=\frac{\rho}{T}\left(\frac{\partial T}{\partial \rho}\right)_{s, n_i}$ | no |
 | (Static) structure factor $S(0)$ | $RT\left(\frac{\partial\rho}{\partial p}\right)_{T,n_i}$ | no |
 
 ## Additional properties for fluids with known molar weights

diff --git a/feos-core/CHANGELOG.md b/feos-core/CHANGELOG.md
@@ -5,6 +5,8 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),
 and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html).
 
 ## Unreleased
+### Added
+- Added new functions `isenthalpic_compressibility`, `thermal_expansivity` and `grueneisen_parameter` to `State`. [#154](https://github.com/feos-org/feos/pull/154)
 
 ## [0.4.2] - 2023-04-03
 ### Fixed

diff --git a/feos-core/src/python/state.rs b/feos-core/src/python/state.rs
@@ -903,6 +903,33 @@ macro_rules! impl_state {
                 PySINumber::from(self.0.isothermal_compressibility())
             }
 
+            /// Return isenthalpic compressibility coefficient.
+            ///
+            /// Returns
+            /// -------
+            /// SINumber
+            fn isenthalpic_compressibility(&self) -> PySINumber {
+                PySINumber::from(self.0.isenthalpic_compressibility())
+            }
+
+            /// Return thermal expansivity coefficient.
+            ///
+            /// Returns
+            /// -------
+            /// SINumber
+            fn thermal_expansivity(&self) -> PySINumber {
+                PySINumber::from(self.0.thermal_expansivity())
+            }
+
+            /// Return Grueneisen parameter.
+            ///
+            /// Returns
+            /// -------
+            /// float
+            fn grueneisen_parameter(&self) -> f64 {
+                self.0.grueneisen_parameter()
+            }
+
             /// Return structure factor.
             ///
             /// Returns

diff --git a/feos-core/src/state/properties.rs b/feos-core/src/state/properties.rs
@@ -510,6 +510,25 @@ impl<E: EquationOfState> State<E> {
         -1.0 / (self.dp_dv(c) * self.volume)
     }
 
+    /// Isenthalpic compressibility: $\kappa_H=-\frac{1}{V}\left(\frac{\partial V}{\partial p}\right)_{H,N_i}$
+    pub fn isenthalpic_compressibility(&self) -> SINumber {
+        self.isentropic_compressibility() * (1.0 + self.grueneisen_parameter())
+    }
+
+    /// Thermal expansivity: $\alpha_p=-\frac{1}{V}\left(\frac{\partial V}{\partial T}\right)_{p,N_i}$
+    pub fn thermal_expansivity(&self) -> SINumber {
+        let c = Contributions::Total;
+        -self.dp_dt(c) / self.dp_dv(c) / self.volume
+    }
+
+    /// Grueneisen parameter: $\phi=V\left(\frac{\partial p}{\partial U}\right)_{V,n_i}=\frac{v}{c_v}\left(\frac{\partial p}{\partial T}\right)_{v,n_i}=\frac{\rho}{T}\left(\frac{\partial T}{\partial \rho}\right)_{s, n_i}$
+    pub fn grueneisen_parameter(&self) -> f64 {
+        let c = Contributions::Total;
+        (self.volume / (self.total_moles * self.c_v(c)) * self.dp_dt(c))
+            .into_value()
+            .unwrap()
+    }
+
     /// Structure factor: $S(0)=k_BT\left(\frac{\partial\rho}{\partial p}\right)_{T,N_i}$
     pub fn structure_factor(&self) -> f64 {
         -(SIUnit::gas_constant() * self.temperature * self.density)

diff --git a/parameters/pcsaft/literature.bib b/parameters/pcsaft/literature.bib
@@ -78,16 +78,16 @@ @article{loetgeringlin2015
 }
 
 @article{loetgeringlin2018,
-  author  = {Lötgering-Lin, Oliver and Gross, Joachim},
-  title   = {Group Contribution Method for Viscosities Based on Entropy Scaling Using the Perturbed-Chain Polar Statistical Associating Fluid Theory},
+  author  = {Lötgering-Lin, Oliver and Fischer, Matthias and Hopp, Madlen and Gross, Joachim},
+  title   = {Pure Substance and Mixture Viscosities Based on Entropy Scaling and an Analytic Equation of State},
   journal = {Industrial \& Engineering Chemistry Research},
-  volume  = {54},
-  number  = {32},
-  pages   = {7942-7952},
-  year    = {2015},
-  doi     = {10.1021/acs.iecr.5b01698},
-  url     = {https://doi.org/10.1021/acs.iecr.5b01698},
-  eprint  = {https://doi.org/10.1021/acs.iecr.5b01698}
+  volume  = {57},
+  number  = {11},
+  pages   = {4095-4114},
+  year    = {2018},
+  doi     = {10.1021/acs.iecr.7b04871},
+  url     = {https://doi.org/10.1021/acs.iecr.7b04871},
+  eprint  = {https://doi.org/10.1021/acs.iecr.7b04871}
 }
 
 @article{rehner2020,