From e157e00e6e35d12b0fdf85841775f739f26c008d Mon Sep 17 00:00:00 2001 From: NATE GEHMLICH Date: Wed, 30 Aug 2023 10:00:32 -0600 Subject: [PATCH 1/8] Add palladium alloys --- h_transport_materials/material.py | 7 +- .../property_database/__init__.py | 3 + .../property_database/palladium.py | 11 +- .../property_database/palladium_copper.py | 59 +++++++++ .../property_database/palladium_silver.py | 118 ++++++++++++++++++ h_transport_materials/references.bib | 45 +++++++ 6 files changed, 241 insertions(+), 2 deletions(-) create mode 100644 h_transport_materials/property_database/palladium_copper.py create mode 100644 h_transport_materials/property_database/palladium_silver.py diff --git a/h_transport_materials/material.py b/h_transport_materials/material.py index ad6305a4..06bd557e 100644 --- a/h_transport_materials/material.py +++ b/h_transport_materials/material.py @@ -113,6 +113,8 @@ class MoltenSalt(Material): class FeCrAl(Steel): family = "fecral" +class PalladiumAlloy(Alloy): + family = "palladium alloy" TUNGSTEN = Tungsten() BERYLLIUM = Beryllium() @@ -161,4 +163,7 @@ class FeCrAl(Steel): FE22CR5AL = FeCrAl("fe22cr5al") OXIDIZED_1605 = FeCrAl("oxidized_1605") -TZM = Alloy("tzm") \ No newline at end of file +TZM = Alloy("tzm") + +PD25AG = PalladiumAlloy("pd25ag") +PD52CU = PalladiumAlloy("pd52cu") \ No newline at end of file diff --git a/h_transport_materials/property_database/__init__.py b/h_transport_materials/property_database/__init__.py index 6b47be29..be0bd682 100644 --- a/h_transport_materials/property_database/__init__.py +++ b/h_transport_materials/property_database/__init__.py @@ -68,3 +68,6 @@ from . import yttrium from . import tzm + +from . import palladium_silver +from . import palladium_copper \ No newline at end of file diff --git a/h_transport_materials/property_database/palladium.py b/h_transport_materials/property_database/palladium.py index 69ff5491..d0f7a048 100644 --- a/h_transport_materials/property_database/palladium.py +++ b/h_transport_materials/property_database/palladium.py @@ -1,5 +1,5 @@ import h_transport_materials as htm -from h_transport_materials import Diffusivity, Solubility +from h_transport_materials import Diffusivity, Solubility, RecombinationCoeff import numpy as np u = htm.ureg @@ -472,6 +472,14 @@ source="powell_surface_1991", ) +takagi_recombination_h = RecombinationCoeff( + pre_exp=1.5e-27 * 6.022e23 * u.m**4 * u.s**-1 * u.mol**-1, #convert to mols + act_energy=0.48 * 6.022e23 * u.eV * u.mol**-1, #convert to mols + range=(280 * u.K, 568 * u.K), + isotope="H", + source="takagi_asymmetric_2003", + note="Equation 6", +) properties = [ volkl_diffusivity, @@ -481,6 +489,7 @@ solubility_powell_d, diffusivity_powell_h, diffusivity_powell_d, + takagi_recombination_h, ] for prop in properties: diff --git a/h_transport_materials/property_database/palladium_copper.py b/h_transport_materials/property_database/palladium_copper.py new file mode 100644 index 00000000..5d075a0b --- /dev/null +++ b/h_transport_materials/property_database/palladium_copper.py @@ -0,0 +1,59 @@ +import h_transport_materials as htm +from h_transport_materials import ( + Permeability, + Diffusivity, +) +import numpy as np + +u = htm.ureg + +li_data_T = np.array( + [ + 350, + 375, + 400, + 425, + ] +) # in degC + +li_data_y = ( + np.array( + [ + 1.45e-8, + 1.51e-8, + 1.55e-8, + 1.60e-8, + ] + ) + * u.mol + * u.m**-1 + * u.Pa**-0.5 + * u.s**-1 +) + +li_permeability_h = Permeability( + data_T=li_data_T * u.degC, + data_y=li_data_y, + source="li_low_2023", + isotope="H", + note="SI Table 1 (supporting information)" +) + +piper_diffusivity_h = Diffusivity( + D_0=3e-3 * u.cm**2 * u.s**-1, + E_D=2400 * u.cal * u.mol**-1, + range=((50 + 273.15) * u.K, (600 + 273.15) * u.K), + isotope="H", + source="piper_diffusion_2004", + note="Equation 6 - this Arrhenius fit holds for when the alloy is in the beta phase", +) + +properties = [ + li_permeability_h, + piper_diffusivity_h, +] + +for prop in properties: + prop.material = htm.PD52CU + +htm.database += properties \ No newline at end of file diff --git a/h_transport_materials/property_database/palladium_silver.py b/h_transport_materials/property_database/palladium_silver.py new file mode 100644 index 00000000..baf5615a --- /dev/null +++ b/h_transport_materials/property_database/palladium_silver.py @@ -0,0 +1,118 @@ +import h_transport_materials as htm +from h_transport_materials import ( + Permeability, + Diffusivity, + Solubility, + DissociationCoeff, + RecombinationCoeff, +) + +u = htm.ureg + +serra_permeability_h = Permeability( + pre_exp=5.58e-8 * u.mol * u.m**-1 * u.Pa**-0.5 * u.s**-1, + act_energy=6304 * u.J * u.mol**-1, + range=(373 * u.K, 773 * u.K), + isotope="H", + source="serra_hydrogen_1998-2", + note="Figure 2 or Equation 6", +) + +serra_permeability_d = Permeability( + pre_exp=3.43e-8 * u.mol * u.m**-1 * u.Pa**-0.5 * u.s**-1, + act_energy=6156 * u.J * u.mol**-1, + range=(373 * u.K, 773 * u.K), + isotope="D", + source="serra_hydrogen_1998-2", + note="Figure 2 or Equation 7", +) + +serra_diffusivity_h = Diffusivity( + D_0=3.07e-7 * u.m**2 * u.s**-1, + E_D=25902 * u.J * u.mol**-1, + range=(373 * u.K, 773 * u.K), + isotope="H", + source="serra_hydrogen_1998-2", + note="Figure 3 or Equation 6", +) + +serra_diffusivity_d = Diffusivity( + D_0=1.87e-7 * u.m**2 * u.s**-1, + E_D=24685 * u.J * u.mol**-1, + range=(373 * u.K, 773 * u.K), + isotope="D", + source="serra_hydrogen_1998-2", + note="Figure 3 or Equation 7", +) + +serra_solubility_h = Solubility( + S_0=0.182 * u.mol * u.m**-3 * u.Pa**-0.5, + E_S=-19598 * u.J * u.mol**-1, + range=(373 * u.K, 773 * u.K), + isotope="H", + source="serra_hydrogen_1998-2", + note="Figure 4 or Equation 6", +) + +serra_solubility_d = Solubility( + S_0=0.184 * u.mol * u.m**-3 * u.Pa**-0.5, + E_S=-18531 * u.J * u.mol**-1, + range=(373 * u.K, 773 * u.K), + isotope="D", + source="serra_hydrogen_1998-2", + note="Figure 4 or Equation 7", +) + +serra_dissociation_h = DissociationCoeff( + pre_exp=1.7e-2 * u.mol * u.m**-2 * u.s**-1 * u.Pa**-1, + act_energy=26294 * u.J * u.mol**-1, + range=(373 * u.K, 773 * u.K), + isotope="H", + source="serra_hydrogen_1998-2", + note="Equation 8", +) + +serra_dissociation_d = DissociationCoeff( + pre_exp=1.3e-2 * u.mol * u.m**-2 * u.s**-1 * u.Pa**-1, + act_energy=24780 * u.J * u.mol**-1, + range=(373 * u.K, 773 * u.K), + isotope="D", + source="serra_hydrogen_1998-2", + note="Equation 9", +) + +serra_recombination_h = RecombinationCoeff( + pre_exp=0.51 * u.m**4 * u.s**-1 * u.mol**-1, + act_energy=65490 * u.J * u.mol**-1, + range=(373 * u.K, 773 * u.K), + isotope="H", + source="serra_hydrogen_1998-2", + note="Equation 8", +) + +serra_recombination_d = RecombinationCoeff( + pre_exp=0.39 * u.m**4 * u.s**-1 * u.mol**-1, + act_energy=61842 * u.J * u.mol**-1, + range=(373 * u.K, 773 * u.K), + isotope="D", + source="serra_hydrogen_1998-2", + note="Equation 9", +) + +properties = [ + serra_permeability_h, + serra_permeability_d, + serra_diffusivity_h, + serra_diffusivity_d, + serra_solubility_h, + serra_solubility_d, + serra_dissociation_h, + serra_dissociation_d, + serra_recombination_h, + serra_recombination_d, +] + +for prop in properties: + prop.material = htm.PD25AG + +htm.database += properties \ No newline at end of file diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index 9cbd8c2a..1d8f8fe4 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -2561,3 +2561,48 @@ @article{ikeda_application_2011 doi = {10.13182/FST11-A12707}, url = {https://doi.org/10.13182/FST11-A12707}, } + +@article{takagi_asymmetric_2003, +title = {Asymmetric surface recombination of hydrogen on palladium exposed to plasma}, +journal = {Journal of Nuclear Materials}, +volume = {313-316}, +pages = {102-106}, +year = {2003}, +note = {Plasma-Surface Interactions in Controlled Fusion Devices 15}, +issn = {0022-3115}, +doi = {https://doi.org/10.1016/S0022-3115(02)01370-3}, +url = {https://www.sciencedirect.com/science/article/pii/S0022311502013703}, +author = {Ikuji Takagi and Kimikazu Moritani and Hirotake Moriyama}, +keywords = {Plasma–wall interactions, Palladium, Hydrogen, Recombination, Nuclear reaction analysis, Coverage}, +abstract = {Recombination coefficient of deuterium on either side of a palladium membrane was experimentally studied. Under conditions that one side of the membrane was continuously exposed to a deuterium plasma and the permeation flux was monitored on the other side, two experiments were conducted. One was to observe the transient behavior of the permeation when the incident flux from the plasma was quickly changed and the other was to observe the deuterium concentration by the nuclear reaction analysis. The permeation was limited by the second-order kinetics with respect to deuterium concentration, and the recombination coefficient ku on the plasma-facing side was expressed by ku=1.5×10−27exp(−0.48eV/kT) m4s−1, which is explained by the Pick’s model. The recombination coefficient kd on the downstream side was the same as ku at lower temperatures but showed different temperature dependence above 400 K. This can also be explained by the model but another process of the second-order kinetics may be present.} +} + +@article{li_low_2023, +title = {Low temperature hydrogen plasma permeation in palladium and its alloys for fuel recycling in fusion systems}, +journal = {Journal of Nuclear Materials}, +volume = {582}, +pages = {154484}, +year = {2023}, +issn = {0022-3115}, +doi = {https://doi.org/10.1016/j.jnucmat.2023.154484}, +url = {https://www.sciencedirect.com/science/article/pii/S0022311523002519}, +author = {Chao Li and Adam J. Job and Thomas F. Fuerst and Masashi Shimada and J. Douglas Way and Colin A. Wolden}, +keywords = {Palladium, Superpermeation, Hydrogen, Metal foil pump, Fusion fuel cycle}, +abstract = {Superpermeation of hydrogen isotopes through metal foils is a critical component for efficient fuel recycling in fusion power systems. In that context hydrogen permeation through foils of palladium and its alloys with silver and copper was studied at low temperature (60 - 200°C) under plasma exposure. These alloys differ significantly in both bulk and surface properties, and comparisons can provide mechanistic insights. Permeation was observed only during plasma operation, confirming the negligible contribution of molecular hydrogen to the observed flux. As-received foils required surface treatment to achieve top performance. For Pd and Pd75Ag25 an oxidation treatment increased permeation an order of magnitude, but proved unstable as this desirable surface was reduced under hydrogen plasma exposure. In contrast, an Ar plasma cleaning step provided both high and stable flux. As-received FCC phase Pd60Cu40 foils required annealing to transform it into the high permeability BCC phase that delivered top performance. All foils displayed similar temperature dependence with flux declining with temperature, suggesting that the primary rate-limiting step is absorption of superthermal hydrogen. Among these foils the hydrogen flux through PdCu was 3 - 5X greater than that of Pd or PdAg, which were similar. The superiority of BCC PdCu is attributed to its superior hydrogen desorption kinetics. Using PdCu 100% permeation of supplied hydrogen was achieved, and the flux saturated with increasing plasma power at values >10−2 mol H·m−2·s−1, and under these conditions permeation rates are equivalent with or without the membrane present. The fluxes achieved are the highest reported to date at these conditions, and the results highlight the important roles of both surface and bulk properties.} +} + +@article{piper_diffusion_2004, + author = {Piper, John}, + title = "{Diffusion of Hydrogen in Copper‐Palladium Alloys}", + journal = {Journal of Applied Physics}, + volume = {37}, + number = {2}, + pages = {715-721}, + year = {2004}, + month = {06}, + abstract = "{The diffusion of hydrogen in copper‐palladium alloys has been studied by utilizing the dependence of electrical resistivity upon hydrogen concentration—a technique both rapid and simple. At 25°C the diffusion coefficient in the range 0–58 at.\\% Cu is relatively insensitive to alloy composition but is extremely sensitive to the α‐β phase change: it increases two orders of magnitude to become 5×10−5 cm2/sec when the crystal structure of the alloy system changes from face‐centered cubic to ordered body‐centered cubic. Measurements at 130°C indicate that this large increase is due to a decrease by a factor of three in the activation energy for diffusion. The ratio of the diffusion coefficient for hydrogen to that for deuterium in the body‐centered cubic alloy was found to be approximately 1.5.}", + issn = {0021-8979}, + doi = {10.1063/1.1708243}, + url = {https://doi.org/10.1063/1.1708243}, + eprint = {https://pubs.aip.org/aip/jap/article-pdf/37/2/715/7937414/715\_1\_online.pdf}, +} From e0b7287ce5497b860647bdcaa857b4380b835f79 Mon Sep 17 00:00:00 2001 From: natethegreatINL <133147320+natethegreatINL@users.noreply.github.com> Date: Thu, 31 Aug 2023 07:55:47 -0600 Subject: [PATCH 2/8] Update h_transport_materials/property_database/palladium.py MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Co-authored-by: Rémi Delaporte-Mathurin <40028739+RemDelaporteMathurin@users.noreply.github.com> --- h_transport_materials/property_database/palladium.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/h_transport_materials/property_database/palladium.py b/h_transport_materials/property_database/palladium.py index d0f7a048..b9e43825 100644 --- a/h_transport_materials/property_database/palladium.py +++ b/h_transport_materials/property_database/palladium.py @@ -473,8 +473,8 @@ ) takagi_recombination_h = RecombinationCoeff( - pre_exp=1.5e-27 * 6.022e23 * u.m**4 * u.s**-1 * u.mol**-1, #convert to mols - act_energy=0.48 * 6.022e23 * u.eV * u.mol**-1, #convert to mols + pre_exp=1.5e-27 * u.m**4 * u.s**-1 * u.particle**-1, + act_energy=0.48 * u.eV * u.particle**-1, range=(280 * u.K, 568 * u.K), isotope="H", source="takagi_asymmetric_2003", From f81a7e9adfc30948b28853ea0791c1a334ac8c74 Mon Sep 17 00:00:00 2001 From: natethegreatINL <133147320+natethegreatINL@users.noreply.github.com> Date: Thu, 31 Aug 2023 07:56:05 -0600 Subject: [PATCH 3/8] Update h_transport_materials/property_database/palladium.py MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Co-authored-by: Rémi Delaporte-Mathurin <40028739+RemDelaporteMathurin@users.noreply.github.com> --- h_transport_materials/property_database/palladium.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/h_transport_materials/property_database/palladium.py b/h_transport_materials/property_database/palladium.py index b9e43825..f08a7ada 100644 --- a/h_transport_materials/property_database/palladium.py +++ b/h_transport_materials/property_database/palladium.py @@ -476,7 +476,7 @@ pre_exp=1.5e-27 * u.m**4 * u.s**-1 * u.particle**-1, act_energy=0.48 * u.eV * u.particle**-1, range=(280 * u.K, 568 * u.K), - isotope="H", + isotope="D", source="takagi_asymmetric_2003", note="Equation 6", ) From 9dffd254aabdb67064a09fcc1438e06f46d699f3 Mon Sep 17 00:00:00 2001 From: natethegreatINL <133147320+natethegreatINL@users.noreply.github.com> Date: Thu, 31 Aug 2023 07:56:13 -0600 Subject: [PATCH 4/8] Update h_transport_materials/property_database/palladium_copper.py MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Co-authored-by: Rémi Delaporte-Mathurin <40028739+RemDelaporteMathurin@users.noreply.github.com> --- h_transport_materials/property_database/palladium_copper.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/h_transport_materials/property_database/palladium_copper.py b/h_transport_materials/property_database/palladium_copper.py index 5d075a0b..6967999f 100644 --- a/h_transport_materials/property_database/palladium_copper.py +++ b/h_transport_materials/property_database/palladium_copper.py @@ -32,7 +32,7 @@ ) li_permeability_h = Permeability( - data_T=li_data_T * u.degC, + data_T=li_data_T, data_y=li_data_y, source="li_low_2023", isotope="H", From be45a5e51d24acdcfdc7abaa1c9b8fbcdf9b3b2b Mon Sep 17 00:00:00 2001 From: natethegreatINL <133147320+natethegreatINL@users.noreply.github.com> Date: Thu, 31 Aug 2023 07:56:22 -0600 Subject: [PATCH 5/8] Update h_transport_materials/property_database/palladium_copper.py MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Co-authored-by: Rémi Delaporte-Mathurin <40028739+RemDelaporteMathurin@users.noreply.github.com> --- h_transport_materials/property_database/palladium_copper.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/h_transport_materials/property_database/palladium_copper.py b/h_transport_materials/property_database/palladium_copper.py index 6967999f..1adad200 100644 --- a/h_transport_materials/property_database/palladium_copper.py +++ b/h_transport_materials/property_database/palladium_copper.py @@ -14,7 +14,7 @@ 400, 425, ] -) # in degC +) * u.degC li_data_y = ( np.array( From db49fb3a02b49fcef50628451efafccd064cc1ae Mon Sep 17 00:00:00 2001 From: NATE GEHMLICH Date: Thu, 31 Aug 2023 09:17:17 -0600 Subject: [PATCH 6/8] Merge the two PdAg files - other changes --- h_transport_materials/material.py | 3 +- .../property_database/palladium.py | 6 +- .../property_database/palladium_copper.py | 4 +- .../property_database/palladium_silver.py | 118 ------------------ .../pdag/palladium_silver.py | 19 +++ 5 files changed, 25 insertions(+), 125 deletions(-) delete mode 100644 h_transport_materials/property_database/palladium_silver.py diff --git a/h_transport_materials/material.py b/h_transport_materials/material.py index 06bd557e..7aff11f6 100644 --- a/h_transport_materials/material.py +++ b/h_transport_materials/material.py @@ -148,7 +148,7 @@ class PalladiumAlloy(Alloy): FLINAK = MoltenSalt("flinak") LIPB = Alloy("lipb") LITHIUM = PureMetal("lithium", "Li") -PDAG = Alloy("pdag") +PDAG = PalladiumAlloy("pdag") ZIRCONIUM = PureMetal("zirconium", "Zr") YTTRIUM = PureMetal("yttrium", "Y") @@ -165,5 +165,4 @@ class PalladiumAlloy(Alloy): TZM = Alloy("tzm") -PD25AG = PalladiumAlloy("pd25ag") PD52CU = PalladiumAlloy("pd52cu") \ No newline at end of file diff --git a/h_transport_materials/property_database/palladium.py b/h_transport_materials/property_database/palladium.py index f08a7ada..5546b228 100644 --- a/h_transport_materials/property_database/palladium.py +++ b/h_transport_materials/property_database/palladium.py @@ -472,10 +472,10 @@ source="powell_surface_1991", ) -takagi_recombination_h = RecombinationCoeff( +takagi_recombination_d = RecombinationCoeff( pre_exp=1.5e-27 * u.m**4 * u.s**-1 * u.particle**-1, act_energy=0.48 * u.eV * u.particle**-1, - range=(280 * u.K, 568 * u.K), + range=(398 * u.K, 571 * u.K), isotope="D", source="takagi_asymmetric_2003", note="Equation 6", @@ -489,7 +489,7 @@ solubility_powell_d, diffusivity_powell_h, diffusivity_powell_d, - takagi_recombination_h, + takagi_recombination_d, ] for prop in properties: diff --git a/h_transport_materials/property_database/palladium_copper.py b/h_transport_materials/property_database/palladium_copper.py index 1adad200..9f03549b 100644 --- a/h_transport_materials/property_database/palladium_copper.py +++ b/h_transport_materials/property_database/palladium_copper.py @@ -42,10 +42,10 @@ piper_diffusivity_h = Diffusivity( D_0=3e-3 * u.cm**2 * u.s**-1, E_D=2400 * u.cal * u.mol**-1, - range=((50 + 273.15) * u.K, (600 + 273.15) * u.K), + range=(u.Quantity(50, u.degC), u.Quantity(600, u.degC)), isotope="H", source="piper_diffusion_2004", - note="Equation 6 - this Arrhenius fit holds for when the alloy is in the beta phase", + note="Equation 6 - this Arrhenius fit holds for when the alloy is in the beta phase for 52.5 percent copper", ) properties = [ diff --git a/h_transport_materials/property_database/palladium_silver.py b/h_transport_materials/property_database/palladium_silver.py deleted file mode 100644 index baf5615a..00000000 --- a/h_transport_materials/property_database/palladium_silver.py +++ /dev/null @@ -1,118 +0,0 @@ -import h_transport_materials as htm -from h_transport_materials import ( - Permeability, - Diffusivity, - Solubility, - DissociationCoeff, - RecombinationCoeff, -) - -u = htm.ureg - -serra_permeability_h = Permeability( - pre_exp=5.58e-8 * u.mol * u.m**-1 * u.Pa**-0.5 * u.s**-1, - act_energy=6304 * u.J * u.mol**-1, - range=(373 * u.K, 773 * u.K), - isotope="H", - source="serra_hydrogen_1998-2", - note="Figure 2 or Equation 6", -) - -serra_permeability_d = Permeability( - pre_exp=3.43e-8 * u.mol * u.m**-1 * u.Pa**-0.5 * u.s**-1, - act_energy=6156 * u.J * u.mol**-1, - range=(373 * u.K, 773 * u.K), - isotope="D", - source="serra_hydrogen_1998-2", - note="Figure 2 or Equation 7", -) - -serra_diffusivity_h = Diffusivity( - D_0=3.07e-7 * u.m**2 * u.s**-1, - E_D=25902 * u.J * u.mol**-1, - range=(373 * u.K, 773 * u.K), - isotope="H", - source="serra_hydrogen_1998-2", - note="Figure 3 or Equation 6", -) - -serra_diffusivity_d = Diffusivity( - D_0=1.87e-7 * u.m**2 * u.s**-1, - E_D=24685 * u.J * u.mol**-1, - range=(373 * u.K, 773 * u.K), - isotope="D", - source="serra_hydrogen_1998-2", - note="Figure 3 or Equation 7", -) - -serra_solubility_h = Solubility( - S_0=0.182 * u.mol * u.m**-3 * u.Pa**-0.5, - E_S=-19598 * u.J * u.mol**-1, - range=(373 * u.K, 773 * u.K), - isotope="H", - source="serra_hydrogen_1998-2", - note="Figure 4 or Equation 6", -) - -serra_solubility_d = Solubility( - S_0=0.184 * u.mol * u.m**-3 * u.Pa**-0.5, - E_S=-18531 * u.J * u.mol**-1, - range=(373 * u.K, 773 * u.K), - isotope="D", - source="serra_hydrogen_1998-2", - note="Figure 4 or Equation 7", -) - -serra_dissociation_h = DissociationCoeff( - pre_exp=1.7e-2 * u.mol * u.m**-2 * u.s**-1 * u.Pa**-1, - act_energy=26294 * u.J * u.mol**-1, - range=(373 * u.K, 773 * u.K), - isotope="H", - source="serra_hydrogen_1998-2", - note="Equation 8", -) - -serra_dissociation_d = DissociationCoeff( - pre_exp=1.3e-2 * u.mol * u.m**-2 * u.s**-1 * u.Pa**-1, - act_energy=24780 * u.J * u.mol**-1, - range=(373 * u.K, 773 * u.K), - isotope="D", - source="serra_hydrogen_1998-2", - note="Equation 9", -) - -serra_recombination_h = RecombinationCoeff( - pre_exp=0.51 * u.m**4 * u.s**-1 * u.mol**-1, - act_energy=65490 * u.J * u.mol**-1, - range=(373 * u.K, 773 * u.K), - isotope="H", - source="serra_hydrogen_1998-2", - note="Equation 8", -) - -serra_recombination_d = RecombinationCoeff( - pre_exp=0.39 * u.m**4 * u.s**-1 * u.mol**-1, - act_energy=61842 * u.J * u.mol**-1, - range=(373 * u.K, 773 * u.K), - isotope="D", - source="serra_hydrogen_1998-2", - note="Equation 9", -) - -properties = [ - serra_permeability_h, - serra_permeability_d, - serra_diffusivity_h, - serra_diffusivity_d, - serra_solubility_h, - serra_solubility_d, - serra_dissociation_h, - serra_dissociation_d, - serra_recombination_h, - serra_recombination_d, -] - -for prop in properties: - prop.material = htm.PD25AG - -htm.database += properties \ No newline at end of file diff --git a/h_transport_materials/property_database/pdag/palladium_silver.py b/h_transport_materials/property_database/pdag/palladium_silver.py index 3d617349..56e4b5a4 100644 --- a/h_transport_materials/property_database/pdag/palladium_silver.py +++ b/h_transport_materials/property_database/pdag/palladium_silver.py @@ -114,6 +114,23 @@ note="equation 17 + probably an error in the units of the activation energy in the original paper", ) +serra_permeability_h = Permeability( + pre_exp=5.58e-8 * u.mol * u.m**-1 * u.Pa**-0.5 * u.s**-1, + act_energy=6304 * u.J * u.mol**-1, + range=(373 * u.K, 773 * u.K), + isotope="H", + source="serra_hydrogen_1998-2", + note="Figure 2 or Equation 6", +) + +serra_permeability_d = Permeability( + pre_exp=3.43e-8 * u.mol * u.m**-1 * u.Pa**-0.5 * u.s**-1, + act_energy=6156 * u.J * u.mol**-1, + range=(373 * u.K, 773 * u.K), + isotope="D", + source="serra_hydrogen_1998-2", + note="Figure 2 or Equation 7", +) properties = [ serra_diffusivity_h, serra_diffusivity_d, @@ -127,6 +144,8 @@ vadrucci_permeability_wt150, vadrucci_permeability_wt200, vadrucci_dissociation_h, + serra_permeability_h, + serra_permeability_d, ] for prop in properties: From 0db8b910efd080fc23fb608adc3cee8c88b5d4ae Mon Sep 17 00:00:00 2001 From: natethegreatINL <133147320+natethegreatINL@users.noreply.github.com> Date: Thu, 31 Aug 2023 09:21:30 -0600 Subject: [PATCH 7/8] Update palladium_copper.py --- h_transport_materials/property_database/palladium_copper.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/h_transport_materials/property_database/palladium_copper.py b/h_transport_materials/property_database/palladium_copper.py index 9f03549b..ff5ee9e1 100644 --- a/h_transport_materials/property_database/palladium_copper.py +++ b/h_transport_materials/property_database/palladium_copper.py @@ -45,7 +45,7 @@ range=(u.Quantity(50, u.degC), u.Quantity(600, u.degC)), isotope="H", source="piper_diffusion_2004", - note="Equation 6 - this Arrhenius fit holds for when the alloy is in the beta phase for 52.5 percent copper", + note="Equation 6 - this Arrhenius fit holds for when the alloy is in the beta phase for 52.5 percent copper. These range values were found outside of the paper.", ) properties = [ @@ -56,4 +56,4 @@ for prop in properties: prop.material = htm.PD52CU -htm.database += properties \ No newline at end of file +htm.database += properties From 46f1c82d22a9fbb996e2a0febdd442674cdcfc16 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?R=C3=A9mi=20Delaporte-Mathurin?= <40028739+RemDelaporteMathurin@users.noreply.github.com> Date: Thu, 31 Aug 2023 12:22:56 -0400 Subject: [PATCH 8/8] Update h_transport_materials/property_database/__init__.py --- h_transport_materials/property_database/__init__.py | 1 - 1 file changed, 1 deletion(-) diff --git a/h_transport_materials/property_database/__init__.py b/h_transport_materials/property_database/__init__.py index be0bd682..94d0a076 100644 --- a/h_transport_materials/property_database/__init__.py +++ b/h_transport_materials/property_database/__init__.py @@ -69,5 +69,4 @@ from . import tzm -from . import palladium_silver from . import palladium_copper \ No newline at end of file