diff --git a/burnman/classes/anisotropicmineral.py b/burnman/classes/anisotropicmineral.py index 119b3a53..d9484b02 100644 --- a/burnman/classes/anisotropicmineral.py +++ b/burnman/classes/anisotropicmineral.py @@ -265,10 +265,10 @@ def set_state(self, pressure, temperature): self.isotropic_mineral.set_state(pressure, temperature) V2 = self.isotropic_mineral.V - KT2 = self.isotropic_mineral.K_T + KT2 = self.isotropic_mineral.isothermal_bulk_modulus_reuss self.isotropic_mineral.set_state_with_volume(V2, self.params["T_0"]) P1 = self.isotropic_mineral.pressure - KT1 = self.isotropic_mineral.K_T + KT1 = self.isotropic_mineral.isothermal_bulk_modulus_reuss self.dPthdf = KT1 - KT2 self.Pth = pressure - P1 diff --git a/burnman/optimize/eos_fitting.py b/burnman/optimize/eos_fitting.py index 663c8533..181476e7 100644 --- a/burnman/optimize/eos_fitting.py +++ b/burnman/optimize/eos_fitting.py @@ -78,7 +78,7 @@ def normal(self, x, flag): if flag == "V": self.m.set_state(P, T) - dPdp = -self.m.K_T / self.m.V + dPdp = -self.m.isothermal_bulk_modulus_reuss / self.m.V dpdT = self.m.alpha * self.m.V elif flag == "H": self.m.set_state(P, T) @@ -411,7 +411,7 @@ def normal(self, x, flag): if flag == "V": self.m.set_state(P, T) - dPdp = -self.m.K_T / self.m.V + dPdp = -self.m.isothermal_bulk_modulus_reuss / self.m.V dpdT = self.m.alpha * self.m.V elif flag == "H": self.m.set_state(P, T) diff --git a/burnman/tools/equilibration.py b/burnman/tools/equilibration.py index ec59c414..2f8c2f50 100644 --- a/burnman/tools/equilibration.py +++ b/burnman/tools/equilibration.py @@ -318,7 +318,9 @@ def jacobian(x, assemblage, equality_constraints, reduced_free_composition_vecto elif type_c == "V": # dV/dx # dV/dP = -V/K_T, dV/dT = aV jacobian[ic, 0:2] = [ - -assemblage.n_moles * assemblage.molar_volume / assemblage.K_T, + -assemblage.n_moles + * assemblage.molar_volume + / assemblage.isothermal_bulk_modulus_reuss, assemblage.n_moles * assemblage.molar_volume, ] j = 2