Coverage for backend/ahuora-compounds/ahuora_property_packages/milk/milk_modular.py: 100%

1""" 

2Ideal Modular PP for waer and milk solids (liquid aprroxiamtion for milk solids) 

3""" 

4# Import Python libraries 

5import logging 

6 

7from pyomo.environ import units as pyunits 

8 

9# Import IDAES cores 

10from idaes.core import LiquidPhase, VaporPhase, Component, PhaseType as PT 

11 

12from idaes.models.properties.modular_properties.state_definitions import FTPx 

13from idaes.models.properties.modular_properties.eos.ideal import Ideal 

14from idaes.models.properties.modular_properties.phase_equil import SmoothVLE 

15from idaes.models.properties.modular_properties.phase_equil.bubble_dew import ( 

16 IdealBubbleDew, 

17) 

18from idaes.models.properties.modular_properties.phase_equil.forms import fugacity 

19 

20from idaes.models.properties.modular_properties.pure.Perrys import Perrys 

21from idaes.models.properties.modular_properties.pure.NIST import NIST 

22 

23# Set up logger 

24_log = logging.getLogger(__name__) 

25 

26 

27# --------------------------------------------------------------------- 

28# Configuration dictionary for an ideal CO2-H2O system 

29# Assumptions 

30# 1. Ideal gas-liquid system 

31# 2. CO2 conc. negligible in liquid phase, at equilibrium 

32# 3. Properties are applicable at standard pressure (1 atm) 

33 

34# Reference Temperature : 298.15 K 

35# Reference Pressure : 101325 Pa 

36 

37# Data Sources: 

38 

39# [1] NIST Webbook, https://webbook.nist.gov/ 

40# Retrieved 27th November, 2020. Converted from bar to Pa 

41# [2] Perry's Chemical Engineers' Handbook 7th Ed. 

42 

43# Initial temperature and pressure reference: 

44# Measurement and Modeling of the Phase Behavior of the 

45# (Carbon Dioxide + Water) Mixture at Temperatures From 298.15 K to 448.15 

46# KShu-Xin Hou, Geoffrey C. Maitland, and J. P. Martin Trusler* 

47# Qatar Carbonates and Carbon Storage Research Centre 

48# Department of Chemical Engineering Imperial College London, 

49# South Kensington Campus, London SW7 2AZ. U.K 

50 

51milk_configuration = { 

52 # Specifying components 

53 "components": { 

54 "water": { 

55 "type": Component, 

56 "dens_mol_liq_comp": Perrys, 

57 "enth_mol_liq_comp": Perrys, 

58 "enth_mol_ig_comp": NIST, 

59 "entr_mol_ig_comp": NIST, 

60 "entr_mol_liq_comp": Perrys, 

61 "pressure_sat_comp": NIST, 

62 "phase_equilibrium_form": {("Vap", "Liq"): fugacity}, 

63 "parameter_data": { 

64 "mw": (18.0153e-3, pyunits.kg / pyunits.mol), # [1] 

65 "pressure_crit": (220.64e5, pyunits.Pa), # [1] 

66 "temperature_crit": (647, pyunits.K), # [1] 

67 "dens_mol_liq_comp_coeff": { 

68 "eqn_type": 1, 

69 "1": ( 

70 5.459, 

71 pyunits.kmol * pyunits.m**-3, 

72 ), # [2] pg. 2-98, temperature range 273.16 K - 333.15 K 

73 "2": (0.30542, None), 

74 "3": (647.13, pyunits.K), 

75 "4": (0.081, None), 

76 }, 

77 "cp_mol_ig_comp_coeff": { 

78 # https://webbook.nist.gov/cgi/cbook.cgi?Name=Water+&Units=SI&cTG=on&cTC=on&cTP=on 

79 "A": ( 

80 30.09200, 

81 pyunits.J / pyunits.mol / pyunits.K, 

82 ), # [1] temperature range 500 K- 1700 K 

83 "B": ( 

84 6.832514, 

85 pyunits.J * pyunits.mol**-1 * pyunits.K**-1 * pyunits.kiloK**-1, 

86 ), 

87 "C": ( 

88 6.793435, 

89 pyunits.J * pyunits.mol**-1 * pyunits.K**-1 * pyunits.kiloK**-2, 

90 ), 

91 "D": ( 

92 -2.534480, 

93 pyunits.J * pyunits.mol**-1 * pyunits.K**-1 * pyunits.kiloK**-3, 

94 ), 

95 "E": ( 

96 0.082139, 

97 pyunits.J * pyunits.mol**-1 * pyunits.K**-1 * pyunits.kiloK**2, 

98 ), 

99 "F": (-250.8810, pyunits.kJ / pyunits.mol), 

100 "G": (202.3, pyunits.J / pyunits.mol / pyunits.K), 

101 "H": (-241.83 - 45.6, pyunits.kJ / pyunits.mol), 

102 }, 

103 "cp_mol_liq_comp_coeff": { 

104 "1": ( 

105 2.7637e5, 

106 pyunits.J / pyunits.kmol / pyunits.K, 

107 ), # [2] pg 2-174, temperature range 273.16 K - 533.15 K 

108 "2": (-2.0901e3, pyunits.J / pyunits.kmol / pyunits.K**2), 

109 "3": (8.125, pyunits.J / pyunits.kmol / pyunits.K**3), 

110 "4": (-1.4116e-2, pyunits.J / pyunits.kmol / pyunits.K**4), 

111 "5": (9.3701e-6, pyunits.J / pyunits.kmol / pyunits.K**5), 

112 }, 

113 # NIST ignores enth_mol_form_ig_comp_ref, and uses the H parameter instead. 

114 "enth_mol_form_liq_comp_ref": ( 

115 0, # With "include_enthalpy_of_formation": False, Perrys actually ignores this. 

116 pyunits.J / pyunits.mol, 

117 ), # [1] 

118 "entr_mol_form_liq_comp_ref": ( 

119 0, 

120 pyunits.J / pyunits.mol / pyunits.K, 

121 ), # [1] 

122 "entr_mol_form_vap_comp_ref": ( 

123 0,# AGAIN, NIST doesn't use this  

124 pyunits.J / pyunits.mol / pyunits.K, 

125 ), # [1] 

126 "pressure_sat_comp_coeff": { 

127 "A": (4.6543, None), # [1], temperature range 255.9 K - 373 K 

128 "B": (1435.264, pyunits.K), 

129 "C": (-64.848, pyunits.K), 

130 }, 

131 }, 

132 }, 

133 "milk_solid": { 

134 "type": Component, 

135 "valid_phase_types": PT.liquidPhase, 

136 "dens_mol_liq_comp": Perrys, 

137 "enth_mol_liq_comp": Perrys, 

138 "entr_mol_liq_comp": Perrys, 

139 "parameter_data": { 

140 "mw": (232e-3, pyunits.kg / pyunits.mol), # F.Glasser et al Technical Note: Estimation of Milk Fatty Acid Yield from Milk Fat Data https://www.sciencedirect.com/science/article/pii/S0022030207717241#:~:text=The%20mean%20molecular%20weight%20of,%3D%209%20g%2Fmol). 

141 "pressure_crit": (1332.96*1000, pyunits.Pa), # https://www.chemeo.com/cid/13-615-4/Oleic-Acid 

142 "temperature_crit": (937.21, pyunits.K), ##https://www.chemeo.com/cid/13-615-4/Oleic-Acid aprrox as Oleic acid Joback method 

143 "dens_mol_liq_comp_coeff": { 

144 "eqn_type": 1, 

145 "1": ( 

146 5.459, 

147 pyunits.kmol * pyunits.m**-3, 

148 ), # [2] pg. 2-98, temperature range 273.16 K - 333.15 K 

149 "2": (0.30542, None), 

150 "3": (647.13, pyunits.K), 

151 "4": (0.081, None), 

152 }, 

153 "cp_mol_liq_comp_coeff": { 

154 "1": ( 

155 470599.7666604, 

156 pyunits.J / pyunits.kmol / pyunits.K, 

157 ), # [2] pg 2-174, temperature range 273.16 K - 533.15 K 

158 "2": (-6423.9816705, pyunits.J / pyunits.kmol / pyunits.K**2), 

159 "3": (32.8747223, pyunits.J / pyunits.kmol / pyunits.K**3), 

160 "4": (-0.0747202, pyunits.J / pyunits.kmol / pyunits.K**4), 

161 "5": (0.0000637, pyunits.J / pyunits.kmol / pyunits.K**5), 

162 }, 

163 "enth_mol_form_liq_comp_ref": ( 

164 0, 

165 pyunits.J / pyunits.mol, 

166 ), # [1] 

167 # formation is phase transition. Entropy associated with going from solid to liquid. 

168 "entr_mol_form_liq_comp_ref": ( 

169 0, 

170 pyunits.J / pyunits.mol / pyunits.K, 

171 ), 

172 }, 

173 }, 

174 }, 

175 # Specifying phases 

176 "phases": { 

177 "Liq": {"type": LiquidPhase, "equation_of_state": Ideal}, 

178 "Vap": {"type": VaporPhase, "equation_of_state": Ideal}, 

179 }, 

180 # Set base units of measurement 

181 "base_units": { 

182 "time": pyunits.s, 

183 "length": pyunits.m, 

184 "mass": pyunits.kg, 

185 "amount": pyunits.mol, 

186 "temperature": pyunits.K, 

187 }, 

188 # Specifying state definition 

189 "state_definition": FTPx, 

190 "state_bounds": { 

191 "flow_mol": (0, 10, 10000, pyunits.mol / pyunits.s), 

192 "temperature": (273.15, 323.15, 1000, pyunits.K), 

193 "pressure": (10000, 108900, 1e7, pyunits.Pa), 

194 }, 

195 "pressure_ref": (612.5, pyunits.Pa), 

196 "temperature_ref": (273.2, pyunits.K), 

197 # Defining phase equilibria 

198 "phases_in_equilibrium": [("Vap", "Liq")], 

199 "phase_equilibrium_state": {("Vap", "Liq"): SmoothVLE}, 

200 "bubble_dew_method": IdealBubbleDew, 

201 "include_enthalpy_of_formation": False, 

202}