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Merge pull request #182 from thermotools/hydrate
Initial hydrate support
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -1,5 +1,5 @@ | ||
| ; File generated by thermopack/addon/pyUtils/exports/export_list.py | ||
| ; Time stamp: 2024-10-04T15:56:57.529901 | ||
| ; Time stamp: 2024-12-09T14:49:32.643496 | ||
| ; @[email protected] : Declares the module parameters. | ||
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| LIBRARY | ||
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@@ -98,6 +98,10 @@ EXPORTS | |
| eostv_mp_enthalpy_tvp_ | ||
| fundamental_measure_theory_mp_fmt_energy_density_ | ||
| hardsphere_bmcsl_mp_calc_bmcsl_gij_fmt_ | ||
| hydrate_mp_init_hydrate_model_ | ||
| hydrate_mp_fugacity_water_in_hydrate_tpx_ | ||
| hydrate_mp_fugacity_water_in_hydrate_tvn_ | ||
| hydrate_curves_mp_map_hydrate_appearance_curve_ | ||
| ideal_mp_set_standard_entropy_ | ||
| ideal_mp_get_standard_entropy_ | ||
| ideal_mp_set_enthalpy_of_formation_ | ||
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@@ -117,6 +121,7 @@ EXPORTS | |
| lj_splined_mp_ljs_wca_model_control_ | ||
| lj_splined_mp_ljs_wca_set_pure_params_ | ||
| lj_splined_mp_ljs_wca_get_pure_params_ | ||
| multi_phase_envelope_tv_mp_multi_phase_envelope_plot_tv_ | ||
| mut_solver_mp_solve_mu_t_ | ||
| mut_solver_mp_solve_lnf_t_ | ||
| mut_solver_mp_map_meta_isotherm_ | ||
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@@ -196,6 +201,7 @@ EXPORTS | |
| saturation_curve_mp_envelopeplot_ | ||
| saturation_curve_mp_envelope_isentrope_cross_ | ||
| saturation_curve_mp_pure_fluid_saturation_wrapper_ | ||
| saturation_tv_mp_envelope_plot_tv_ | ||
| saturation_point_locators_mp_locate_saturation_property_ | ||
| saturation_point_locators_mp_property_index_from_string_ | ||
| saturation_point_locators_mp_sat_points_based_on_prop_ | ||
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@@ -229,4 +235,4 @@ EXPORTS | |
| thermopack_var_mp_get_eos_identification_ | ||
| tp_solver_mp_twophasetpflash_ | ||
| sv_solver_mp_twophasesvflash_ | ||
| uv_solver_mp_twophaseuvflash_ | ||
| uv_solver_mp_twophaseuvflash_ | ||
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,90 @@ | ||
| #!/usr/bin/python | ||
| #Modify system path | ||
| import sys | ||
| sys.path.insert(0,'../pycThermopack/') | ||
| from thermopack.cubic import cubic | ||
| import numpy as np | ||
| import matplotlib.pyplot as plt | ||
| import itertools as it | ||
| import csv | ||
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| cb = cubic("CO2,H2O","SRK") | ||
| cb.init_hydrate() | ||
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| Z_H2O = np.array([30.0, 100.0, 250.0])*1e-6 | ||
| initial_pressure = 1.0e3 | ||
| minimum_temperature = 100.0 | ||
| maximum_pressure = 150.0e5 | ||
| p_scaling = 1.0e-6 | ||
| colors = [ "black", "blue", "red", "green", "m"] | ||
| linestyles = [ "-", "--", ":", "-.", "."] | ||
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| z = np.zeros((2)) | ||
| for i in range(len(Z_H2O)): | ||
| z[0] = (1-Z_H2O[i]) | ||
| z[1] = Z_H2O[i] | ||
| fluid, water = cb.get_multi_phase_envelope_tv(initial_pressure, z, | ||
| minimum_temperature, | ||
| maximum_pressure) | ||
| t_vals, p_vals = (fluid.t, fluid.p) | ||
| tw_vals, pw_vals = (water.t, water.p) | ||
| t_hyd_vals, p_hyd_vals = cb.get_hydrate_apperance_curve(initial_pressure, z, | ||
| minimum_temperature, | ||
| maximum_pressure) | ||
| plt.plot(t_vals, p_vals*p_scaling, linestyle="-", color=colors[i]) | ||
| #plt.plot(tw_vals, pw_vals*p_scaling, linestyle=":", color=colors[i], | ||
| # label="H2O: {} ppm".format(round(z[-1]*1e6))) | ||
| plt.plot(t_hyd_vals, p_hyd_vals*p_scaling, linestyle="--", color=colors[i], | ||
| label="Hyd. H2O: {} ppm".format(round(z[-1]*1e6))) | ||
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| # z = np.ones((2))*0.5 | ||
| # t_hyd_vals, p_hyd_vals = cb.get_hydrate_apperance_curve(initial_pressure, z, | ||
| # minimum_temperature, | ||
| # maximum_pressure) | ||
| # plt.plot(t_hyd_vals, p_hyd_vals*p_scaling, linestyle="--", color="orange", | ||
| # label="Hyd. excess H2O") | ||
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| plt.title("SRK: CO2 and variable H2O") | ||
| leg = plt.legend(loc="best", numpoints=1) | ||
| leg.get_frame().set_linewidth(0.0) | ||
| plt.ylabel(r"$P$ (MPa)") | ||
| plt.xlabel(r"$T$ (K)") | ||
| plt.tight_layout() | ||
| plt.savefig("hydrate_co2.pdf") | ||
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| plt.figure() | ||
| cb.init("CO2,N2,H2O","SRK","Classic","Classic") | ||
| cb.init_hydrate() | ||
| Z_CO2 = np.array([0.85,0.15]) | ||
| Z_H2O = np.array([30.0, 100.0, 250.0])*1e-6 | ||
| initial_pressure = 5.0e3 | ||
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| z = np.zeros((3)) | ||
| for i in range(len(Z_H2O)): | ||
| z[0:2] = (1-Z_H2O[i])*Z_CO2 | ||
| z[2] = Z_H2O[i] | ||
| fluid, water = cb.get_multi_phase_envelope_tv(initial_pressure, z, | ||
| minimum_temperature, | ||
| maximum_pressure) | ||
| t_vals, p_vals = (fluid.t, fluid.p) | ||
| tw_vals, pw_vals = (water.t, water.p) | ||
| t_hyd_vals, p_hyd_vals = cb.get_hydrate_apperance_curve(initial_pressure, z, | ||
| minimum_temperature, | ||
| maximum_pressure) | ||
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| plt.plot(t_vals, p_vals*p_scaling, linestyle="-", color=colors[i]) | ||
| # plt.plot(tw_vals, pw_vals*p_scaling, linestyle=":", color=colors[i], | ||
| # label="H2O: {} ppm".format(round(z[-1]*1e6))) | ||
| plt.plot(t_hyd_vals, p_hyd_vals*p_scaling, linestyle="--", color=colors[i], | ||
| label="Hyd. H2O: {} ppm".format(round(z[-1]*1e6))) | ||
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| plt.title("SRK: CO2 (0.85), N2 (0.15) and variable H2O") | ||
| leg = plt.legend(loc="best", numpoints=1) | ||
| leg.get_frame().set_linewidth(0.0) | ||
| plt.ylabel(r"$P$ (MPa)") | ||
| plt.xlabel(r"$T$ (K)") | ||
| plt.tight_layout() | ||
| plt.savefig("hydrate_co2_n2.pdf") | ||
| plt.show() | ||
| plt.clf() |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,88 @@ | ||
| #!/usr/bin/python | ||
| #Modify system path | ||
| import sys | ||
| sys.path.insert(0,'../pycThermopack/') | ||
| from thermopack.cubic import cubic | ||
| import numpy as np | ||
| import matplotlib.pyplot as plt | ||
| import itertools as it | ||
| import csv | ||
|
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||
| cb = cubic("CO2,N2,H2O","SRK") | ||
| Z_CO2 = np.array([0.85,0.15]) | ||
| Z_H2O = np.array([0.05,1e-2,1e-3,1e-4]) | ||
| Z_H2O = np.array([5.0, 30.0, 100.0, 1000.0])*1e-6 | ||
| initial_pressure = 5.0e3 | ||
| minimum_temperature = 140.0 | ||
| maximum_pressure = 150.0e5 | ||
| p_scaling = 1.0e-6 | ||
| colors = [ "black", "blue", "red", "green"] | ||
| linestyles = [ "-", "--", ":", "-."] | ||
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| z = np.zeros((3)) | ||
| for i in range(len(Z_H2O)): | ||
| z[0:2] = (1-Z_H2O[i])*Z_CO2 | ||
| z[2] = Z_H2O[i] | ||
| fluid, water = cb.get_multi_phase_envelope_tv(initial_pressure, z, | ||
| minimum_temperature, | ||
| maximum_pressure) | ||
| t_vals, p_vals = (fluid.t, fluid.p) | ||
| tw_vals, pw_vals = (water.t, water.p) | ||
| plt.plot(t_vals, p_vals*p_scaling, linestyle="-", color=colors[i]) | ||
| plt.plot(tw_vals, pw_vals*p_scaling, linestyle="--", color=colors[i], | ||
| label="H2O: {} ppm".format(round(z[-1]*1e6))) | ||
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| cb.init("CO2,N2","SRK","Classic","Classic") | ||
| Z_CO2 = np.array([0.85,0.15]) | ||
| T, P, v = cb.get_envelope_twophase_tv(initial_pressure, Z_CO2, | ||
| maximum_pressure=maximum_pressure, | ||
| minimum_temperature=minimum_temperature) | ||
| plt.plot(T, P*p_scaling, linestyle="-", color="cyan", label="No water") | ||
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| plt.title("SRK: CO2 (0.85), N2 (0.15) and variable H2O") | ||
| leg = plt.legend(loc="best", numpoints=1) | ||
| leg.get_frame().set_linewidth(0.0) | ||
| plt.ylabel(r"$P$ (MPa)") | ||
| plt.xlabel(r"$T$ (K)") | ||
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| plt.figure() | ||
| cb.init("CO2,H2O","SRK","Classic","Classic") | ||
| initial_pressure = 1.0e3 | ||
| minimum_temperature = 100.0 | ||
| maximum_pressure = 150.0e5 | ||
| p_scaling = 1.0e-6 | ||
| colors = [ "black", "blue", "red", "green"] | ||
| linestyles = [ "-", "--", ":", "-."] | ||
|
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| arrays = [] | ||
| z = np.zeros((2)) | ||
| for i in range(len(Z_H2O)): | ||
| z[0] = (1-Z_H2O[i]) | ||
| z[1] = Z_H2O[i] | ||
| fluid, water = cb.get_multi_phase_envelope_tv(initial_pressure, z, | ||
| minimum_temperature, | ||
| maximum_pressure) | ||
| t_vals, p_vals = (fluid.t, fluid.p) | ||
| tw_vals, pw_vals = (water.t, water.p) | ||
| arrays += [t_vals, p_vals, tw_vals, pw_vals] | ||
| plt.plot(t_vals, p_vals*p_scaling, linestyle="-", color=colors[i]) | ||
| plt.plot(tw_vals, pw_vals*p_scaling, linestyle="--", color=colors[i], | ||
| label="H2O: {} ppm".format(round(z[-1]*1e6))) | ||
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| # with open('co2_h2o.csv', 'w') as f: | ||
| # csv.writer(f, delimiter='\t').writerows(it.zip_longest(*arrays, fillvalue =np.NaN)) | ||
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| cb.init("CO2","SRK","Classic","Classic") | ||
| Z_CO2 = np.array([1.0]) | ||
| T, P, v = cb.get_envelope_twophase_tv(initial_pressure, Z_CO2, | ||
| maximum_pressure=maximum_pressure, | ||
| minimum_temperature=minimum_temperature) | ||
| plt.plot(T, P*p_scaling, linestyle="-", color="cyan", label="No water") | ||
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| plt.title("SRK: CO2 and variable H2O") | ||
| leg = plt.legend(loc="best", numpoints=1) | ||
| leg.get_frame().set_linewidth(0.0) | ||
| plt.ylabel(r"$P$ (MPa)") | ||
| plt.xlabel(r"$T$ (K)") | ||
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| plt.show() |
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