** ecker-main-input_1C_charge_swell_pore.inp *heading new element qec3d8 - coupled temp disp electrical electrochemistry, pore pressure DOFS active are : 1,2, 3, 8, 9, 11, 32, 33 *preprint, model=yes, history=yes, echo=yes *physical constants, STEFAN BOLTZMANN=1.38064852e-23, absolute zero = 0., faraday constant = 96485.3329, universal gas constant = 8.314, boltzmann=1.38064852e-23, avogadro number= 6.02214086e+23, elementary charge = 1.602176634e-19 *node, nset= nalla 1 , -0.0425 , -0.0505 , 0.000000E+00 2 , 0.0425 , -0.0505 , 0.000000E+00 3 , 0.0425 , 0.0505 , 0.000000E+00 4 , -0.0425 , 0.0505 , 0.000000E+00 5 , -0.0425 , -0.0505 , 2.948000E-06 6 , 0.0425 , -0.0505 , 2.948000E-06 7 , 0.0425 , 0.0505 , 2.948000E-06 8 , -0.0425 , 0.0505 , 2.948000E-06 9 , -0.0425 , -0.0505 , 5.896000E-06 10 , 0.0425 , -0.0505 , 5.896000E-06 11 , 0.0425 , 0.0505 , 5.896000E-06 12 , -0.0425 , 0.0505 , 5.896000E-06 13 , -0.0425 , -0.0505 , 8.844000E-06 14 , 0.0425 , -0.0505 , 8.844000E-06 15 , 0.0425 , 0.0505 , 8.844000E-06 16 , -0.0425 , 0.0505 , 8.844000E-06 17 , -0.0425 , -0.0505 , 1.179200E-05 18 , 0.0425 , -0.0505 , 1.179200E-05 19 , 0.0425 , 0.0505 , 1.179200E-05 20 , -0.0425 , 0.0505 , 1.179200E-05 21 , -0.0425 , -0.0505 , 1.474000E-05 22 , 0.0425 , -0.0505 , 1.474000E-05 23 , 0.0425 , 0.0505 , 1.474000E-05 24 , -0.0425 , 0.0505 , 1.474000E-05 25 , -0.0425 , -0.0505 , 1.768800E-05 26 , 0.0425 , -0.0505 , 1.768800E-05 27 , 0.0425 , 0.0505 , 1.768800E-05 28 , -0.0425 , 0.0505 , 1.768800E-05 29 , -0.0425 , -0.0505 , 2.063600E-05 30 , 0.0425 , -0.0505 , 2.063600E-05 31 , 0.0425 , 0.0505 , 2.063600E-05 32 , -0.0425 , 0.0505 , 2.063600E-05 33 , -0.0425 , -0.0505 , 2.358400E-05 34 , 0.0425 , -0.0505 , 2.358400E-05 35 , 0.0425 , 0.0505 , 2.358400E-05 36 , -0.0425 , 0.0505 , 2.358400E-05 37 , -0.0425 , -0.0505 , 2.653200E-05 38 , 0.0425 , -0.0505 , 2.653200E-05 39 , 0.0425 , 0.0505 , 2.653200E-05 40 , -0.0425 , 0.0505 , 2.653200E-05 41 , -0.0425 , -0.0505 , 2.948000E-05 42 , 0.0425 , -0.0505 , 2.948000E-05 43 , 0.0425 , 0.0505 , 2.948000E-05 44 , -0.0425 , 0.0505 , 2.948000E-05 45 , -0.0425 , -0.0505 , 3.242800E-05 46 , 0.0425 , -0.0505 , 3.242800E-05 47 , 0.0425 , 0.0505 , 3.242800E-05 48 , -0.0425 , 0.0505 , 3.242800E-05 49 , -0.0425 , -0.0505 , 3.537600E-05 50 , 0.0425 , -0.0505 , 3.537600E-05 51 , 0.0425 , 0.0505 , 3.537600E-05 52 , -0.0425 , 0.0505 , 3.537600E-05 53 , -0.0425 , -0.0505 , 3.832400E-05 54 , 0.0425 , -0.0505 , 3.832400E-05 55 , 0.0425 , 0.0505 , 3.832400E-05 56 , -0.0425 , 0.0505 , 3.832400E-05 57 , -0.0425 , -0.0505 , 4.127200E-05 58 , 0.0425 , -0.0505 , 4.127200E-05 59 , 0.0425 , 0.0505 , 4.127200E-05 60 , -0.0425 , 0.0505 , 4.127200E-05 61 , -0.0425 , -0.0505 , 4.422000E-05 62 , 0.0425 , -0.0505 , 4.422000E-05 63 , 0.0425 , 0.0505 , 4.422000E-05 64 , -0.0425 , 0.0505 , 4.422000E-05 65 , -0.0425 , -0.0505 , 4.716800E-05 66 , 0.0425 , -0.0505 , 4.716800E-05 67 , 0.0425 , 0.0505 , 4.716800E-05 68 , -0.0425 , 0.0505 , 4.716800E-05 69 , -0.0425 , -0.0505 , 5.011600E-05 70 , 0.0425 , -0.0505 , 5.011600E-05 71 , 0.0425 , 0.0505 , 5.011600E-05 72 , -0.0425 , 0.0505 , 5.011600E-05 73 , -0.0425 , -0.0505 , 5.306400E-05 74 , 0.0425 , -0.0505 , 5.306400E-05 75 , 0.0425 , 0.0505 , 5.306400E-05 76 , -0.0425 , 0.0505 , 5.306400E-05 77 , -0.0425 , -0.0505 , 5.601200E-05 78 , 0.0425 , -0.0505 , 5.601200E-05 79 , 0.0425 , 0.0505 , 5.601200E-05 80 , -0.0425 , 0.0505 , 5.601200E-05 81 , -0.0425 , -0.0505 , 5.896000E-05 82 , 0.0425 , -0.0505 , 5.896000E-05 83 , 0.0425 , 0.0505 , 5.896000E-05 84 , -0.0425 , 0.0505 , 5.896000E-05 85 , -0.0425 , -0.0505 , 6.190800E-05 86 , 0.0425 , -0.0505 , 6.190800E-05 87 , 0.0425 , 0.0505 , 6.190800E-05 88 , -0.0425 , 0.0505 , 6.190800E-05 89 , -0.0425 , -0.0505 , 6.485600E-05 90 , 0.0425 , -0.0505 , 6.485600E-05 91 , 0.0425 , 0.0505 , 6.485600E-05 92 , -0.0425 , 0.0505 , 6.485600E-05 93 , -0.0425 , -0.0505 , 6.780400E-05 94 , 0.0425 , -0.0505 , 6.780400E-05 95 , 0.0425 , 0.0505 , 6.780400E-05 96 , -0.0425 , 0.0505 , 6.780400E-05 97 , -0.0425 , -0.0505 , 7.075200E-05 98 , 0.0425 , -0.0505 , 7.075200E-05 99 , 0.0425 , 0.0505 , 7.075200E-05 100 , -0.0425 , 0.0505 , 7.075200E-05 101 , -0.0425 , -0.0505 , 7.370000E-05 102 , 0.0425 , -0.0505 , 7.370000E-05 103 , 0.0425 , 0.0505 , 7.370000E-05 104 , -0.0425 , 0.0505 , 7.370000E-05 *nset, nset=nAnodeStart 1, 2, 3, 4 *nset, nset=nAnodeEnd, generate 101, 104, 1 *element, type = qec3d8, elset= ealla 1, 1, 2, 3, 4, 5, 6, 7, 8 2, 5, 6, 7, 8, 9, 10, 11, 12 3, 9, 10, 11, 12, 13, 14, 15, 16 4, 13, 14, 15, 16, 17, 18, 19, 20 5, 17, 18, 19, 20, 21, 22, 23, 24 6, 21, 22, 23, 24, 25, 26, 27, 28 7, 25, 26, 27, 28, 29, 30, 31, 32 8, 29, 30, 31, 32, 33, 34, 35, 36 9, 33, 34, 35, 36, 37, 38, 39, 40 10, 37, 38, 39, 40, 41, 42, 43, 44 11, 41, 42, 43, 44, 45, 46, 47, 48 12, 45, 46, 47, 48, 49, 50, 51, 52 13, 49, 50, 51, 52, 53, 54, 55, 56 14, 53, 54, 55, 56, 57, 58, 59, 60 15, 57, 58, 59, 60, 61, 62, 63, 64 16, 61, 62, 63, 64, 65, 66, 67, 68 17, 65, 66, 67, 68, 69, 70, 71, 72 18, 69, 70, 71, 72, 73, 74, 75, 76 19, 73, 74, 75, 76, 77, 78, 79, 80 20, 77, 78, 79, 80, 81, 82, 83, 84 21, 81, 82, 83, 84, 85, 86, 87, 88 22, 85, 86, 87, 88, 89, 90, 91, 92 23, 89, 90, 91, 92, 93, 94, 95, 96 24, 93, 94, 95, 96, 97, 98, 99, 100 25, 97, 98, 99, 100, 101, 102, 103, 104 *elset, elset=eoutput 1, 5, 10, 15, 20 , 25 *solid section, elset=ealla, material=ABQ_EChemPET_matAnode 1 *initial conditions, type=temperature nalla, 298.1500 *initial conditions, type=solid electric potential nalla, 0. *initial conditions, type=fluid electric potential nalla, -0.6126932965 *initial conditions, type=ion concentration nalla, 1000. *initial conditions, type=saturation nalla, 1. *initial conditions, type=porosity ealla, 0.329 ** ** SEPARATOR ** *node 105 , -0.0425 , -0.0505 , 7.542727E-05 106 , 0.0425 , -0.0505 , 7.542727E-05 107 , 0.0425 , 0.0505 , 7.542727E-05 108 , -0.0425 , 0.0505 , 7.542727E-05 109 , -0.0425 , -0.0505 , 7.715455E-05 110 , 0.0425 , -0.0505 , 7.715455E-05 111 , 0.0425 , 0.0505 , 7.715455E-05 112 , -0.0425 , 0.0505 , 7.715455E-05 113 , -0.0425 , -0.0505 , 7.888182E-05 114 , 0.0425 , -0.0505 , 7.888182E-05 115 , 0.0425 , 0.0505 , 7.888182E-05 116 , -0.0425 , 0.0505 , 7.888182E-05 117 , -0.0425 , -0.0505 , 8.060909E-05 118 , 0.0425 , -0.0505 , 8.060909E-05 119 , 0.0425 , 0.0505 , 8.060909E-05 120 , -0.0425 , 0.0505 , 8.060909E-05 121 , -0.0425 , -0.0505 , 8.233636E-05 122 , 0.0425 , -0.0505 , 8.233636E-05 123 , 0.0425 , 0.0505 , 8.233636E-05 124 , -0.0425 , 0.0505 , 8.233636E-05 125 , -0.0425 , -0.0505 , 8.406364E-05 126 , 0.0425 , -0.0505 , 8.406364E-05 127 , 0.0425 , 0.0505 , 8.406364E-05 128 , -0.0425 , 0.0505 , 8.406364E-05 129 , -0.0425 , -0.0505 , 8.579091E-05 130 , 0.0425 , -0.0505 , 8.579091E-05 131 , 0.0425 , 0.0505 , 8.579091E-05 132 , -0.0425 , 0.0505 , 8.579091E-05 133 , -0.0425 , -0.0505 , 8.751818E-05 134 , 0.0425 , -0.0505 , 8.751818E-05 135 , 0.0425 , 0.0505 , 8.751818E-05 136 , -0.0425 , 0.0505 , 8.751818E-05 137 , -0.0425 , -0.0505 , 8.924545E-05 138 , 0.0425 , -0.0505 , 8.924545E-05 139 , 0.0425 , 0.0505 , 8.924545E-05 140 , -0.0425 , 0.0505 , 8.924545E-05 141 , -0.0425 , -0.0505 , 9.097273E-05 142 , 0.0425 , -0.0505 , 9.097273E-05 143 , 0.0425 , 0.0505 , 9.097273E-05 144 , -0.0425 , 0.0505 , 9.097273E-05 145 , -0.0425 , -0.0505 , 9.270000E-05 146 , 0.0425 , -0.0505 , 9.270000E-05 147 , 0.0425 , 0.0505 , 9.270000E-05 148 , -0.0425 , 0.0505 , 9.270000E-05 *nset, generate, nset=nalls 105, 144, 1 *element, type = qec3d8, elset= ealls 101, 101, 102, 103, 104, 105, 106, 107, 108 102, 105, 106, 107, 108, 109, 110, 111, 112 103, 109, 110, 111, 112, 113, 114, 115, 116 104, 113, 114, 115, 116, 117, 118, 119, 120 105, 117, 118, 119, 120, 121, 122, 123, 124 106, 121, 122, 123, 124, 125, 126, 127, 128 107, 125, 126, 127, 128, 129, 130, 131, 132 108, 129, 130, 131, 132, 133, 134, 135, 136 109, 133, 134, 135, 136, 137, 138, 139, 140 110, 137, 138, 139, 140, 141, 142, 143, 144 111, 141, 142, 143, 144, 145, 146, 147, 148 *solid section, elset=ealls, material=ABQ_EChemPET_matSeparator 1 *initial conditions, type=ion concentration nalls, 1000. *initial conditions, type=fluid electric potential nalls, -0.6126932965 *initial conditions, type=temperature nalls, 298.15 *initial conditions, type=saturation nalls, 1. *initial conditions, type=porosity ealls, 0.508 ** ** CATHODE ** *node, nset=nallc 149 , -0.0425 , -0.0505 , 9.488000E-05 150 , 0.0425 , -0.0505 , 9.488000E-05 151 , 0.0425 , 0.0505 , 9.488000E-05 152 , -0.0425 , 0.0505 , 9.488000E-05 153 , -0.0425 , -0.0505 , 9.706000E-05 154 , 0.0425 , -0.0505 , 9.706000E-05 155 , 0.0425 , 0.0505 , 9.706000E-05 156 , -0.0425 , 0.0505 , 9.706000E-05 157 , -0.0425 , -0.0505 , 9.924000E-05 158 , 0.0425 , -0.0505 , 9.924000E-05 159 , 0.0425 , 0.0505 , 9.924000E-05 160 , -0.0425 , 0.0505 , 9.924000E-05 161 , -0.0425 , -0.0505 , 1.014200E-04 162 , 0.0425 , -0.0505 , 1.014200E-04 163 , 0.0425 , 0.0505 , 1.014200E-04 164 , -0.0425 , 0.0505 , 1.014200E-04 165 , -0.0425 , -0.0505 , 1.036000E-04 166 , 0.0425 , -0.0505 , 1.036000E-04 167 , 0.0425 , 0.0505 , 1.036000E-04 168 , -0.0425 , 0.0505 , 1.036000E-04 169 , -0.0425 , -0.0505 , 1.057800E-04 170 , 0.0425 , -0.0505 , 1.057800E-04 171 , 0.0425 , 0.0505 , 1.057800E-04 172 , -0.0425 , 0.0505 , 1.057800E-04 173 , -0.0425 , -0.0505 , 1.079600E-04 174 , 0.0425 , -0.0505 , 1.079600E-04 175 , 0.0425 , 0.0505 , 1.079600E-04 176 , -0.0425 , 0.0505 , 1.079600E-04 177 , -0.0425 , -0.0505 , 1.101400E-04 178 , 0.0425 , -0.0505 , 1.101400E-04 179 , 0.0425 , 0.0505 , 1.101400E-04 180 , -0.0425 , 0.0505 , 1.101400E-04 181 , -0.0425 , -0.0505 , 1.123200E-04 182 , 0.0425 , -0.0505 , 1.123200E-04 183 , 0.0425 , 0.0505 , 1.123200E-04 184 , -0.0425 , 0.0505 , 1.123200E-04 185 , -0.0425 , -0.0505 , 1.145000E-04 186 , 0.0425 , -0.0505 , 1.145000E-04 187 , 0.0425 , 0.0505 , 1.145000E-04 188 , -0.0425 , 0.0505 , 1.145000E-04 189 , -0.0425 , -0.0505 , 1.166800E-04 190 , 0.0425 , -0.0505 , 1.166800E-04 191 , 0.0425 , 0.0505 , 1.166800E-04 192 , -0.0425 , 0.0505 , 1.166800E-04 193 , -0.0425 , -0.0505 , 1.188600E-04 194 , 0.0425 , -0.0505 , 1.188600E-04 195 , 0.0425 , 0.0505 , 1.188600E-04 196 , -0.0425 , 0.0505 , 1.188600E-04 197 , -0.0425 , -0.0505 , 1.210400E-04 198 , 0.0425 , -0.0505 , 1.210400E-04 199 , 0.0425 , 0.0505 , 1.210400E-04 200 , -0.0425 , 0.0505 , 1.210400E-04 201 , -0.0425 , -0.0505 , 1.232200E-04 202 , 0.0425 , -0.0505 , 1.232200E-04 203 , 0.0425 , 0.0505 , 1.232200E-04 204 , -0.0425 , 0.0505 , 1.232200E-04 205 , -0.0425 , -0.0505 , 1.254000E-04 206 , 0.0425 , -0.0505 , 1.254000E-04 207 , 0.0425 , 0.0505 , 1.254000E-04 208 , -0.0425 , 0.0505 , 1.254000E-04 209 , -0.0425 , -0.0505 , 1.275800E-04 210 , 0.0425 , -0.0505 , 1.275800E-04 211 , 0.0425 , 0.0505 , 1.275800E-04 212 , -0.0425 , 0.0505 , 1.275800E-04 213 , -0.0425 , -0.0505 , 1.297600E-04 214 , 0.0425 , -0.0505 , 1.297600E-04 215 , 0.0425 , 0.0505 , 1.297600E-04 216 , -0.0425 , 0.0505 , 1.297600E-04 217 , -0.0425 , -0.0505 , 1.319400E-04 218 , 0.0425 , -0.0505 , 1.319400E-04 219 , 0.0425 , 0.0505 , 1.319400E-04 220 , -0.0425 , 0.0505 , 1.319400E-04 221 , -0.0425 , -0.0505 , 1.341200E-04 222 , 0.0425 , -0.0505 , 1.341200E-04 223 , 0.0425 , 0.0505 , 1.341200E-04 224 , -0.0425 , 0.0505 , 1.341200E-04 225 , -0.0425 , -0.0505 , 1.363000E-04 226 , 0.0425 , -0.0505 , 1.363000E-04 227 , 0.0425 , 0.0505 , 1.363000E-04 228 , -0.0425 , 0.0505 , 1.363000E-04 229 , -0.0425 , -0.0505 , 1.384800E-04 230 , 0.0425 , -0.0505 , 1.384800E-04 231 , 0.0425 , 0.0505 , 1.384800E-04 232 , -0.0425 , 0.0505 , 1.384800E-04 233 , -0.0425 , -0.0505 , 1.406600E-04 234 , 0.0425 , -0.0505 , 1.406600E-04 235 , 0.0425 , 0.0505 , 1.406600E-04 236 , -0.0425 , 0.0505 , 1.406600E-04 237 , -0.0425 , -0.0505 , 1.428400E-04 238 , 0.0425 , -0.0505 , 1.428400E-04 239 , 0.0425 , 0.0505 , 1.428400E-04 240 , -0.0425 , 0.0505 , 1.428400E-04 241 , -0.0425 , -0.0505 , 1.450200E-04 242 , 0.0425 , -0.0505 , 1.450200E-04 243 , 0.0425 , 0.0505 , 1.450200E-04 244 , -0.0425 , 0.0505 , 1.450200E-04 245 , -0.0425 , -0.0505 , 1.472000E-04 246 , 0.0425 , -0.0505 , 1.472000E-04 247 , 0.0425 , 0.0505 , 1.472000E-04 248 , -0.0425 , 0.0505 , 1.472000E-04 *nset, nset=nallc, generate 145, 248, 1 *nset, nset=nCathodeStart 145, 146, 147, 148 *nset, nset=nCathodeEnd 245, 246, 247, 248 *element, type = qec3d8, elset= eallc 201, 145, 146, 147, 148, 149, 150, 151, 152 202, 149, 150, 151, 152, 153, 154, 155, 156 203, 153, 154, 155, 156, 157, 158, 159, 160 204, 157, 158, 159, 160, 161, 162, 163, 164 205, 161, 162, 163, 164, 165, 166, 167, 168 206, 165, 166, 167, 168, 169, 170, 171, 172 207, 169, 170, 171, 172, 173, 174, 175, 176 208, 173, 174, 175, 176, 177, 178, 179, 180 209, 177, 178, 179, 180, 181, 182, 183, 184 210, 181, 182, 183, 184, 185, 186, 187, 188 211, 185, 186, 187, 188, 189, 190, 191, 192 212, 189, 190, 191, 192, 193, 194, 195, 196 213, 193, 194, 195, 196, 197, 198, 199, 200 214, 197, 198, 199, 200, 201, 202, 203, 204 215, 201, 202, 203, 204, 205, 206, 207, 208 216, 205, 206, 207, 208, 209, 210, 211, 212 217, 209, 210, 211, 212, 213, 214, 215, 216 218, 213, 214, 215, 216, 217, 218, 219, 220 219, 217, 218, 219, 220, 221, 222, 223, 224 220, 221, 222, 223, 224, 225, 226, 227, 228 221, 225, 226, 227, 228, 229, 230, 231, 232 222, 229, 230, 231, 232, 233, 234, 235, 236 223, 233, 234, 235, 236, 237, 238, 239, 240 224, 237, 238, 239, 240, 241, 242, 243, 244 225, 241, 242, 243, 244, 245, 246, 247, 248 *elset, elset=eoutput 201, 205, 210, 215, 220 , 225 *elset, elset=eSensorCsurf 1, *nset, nset=nSensorPot 248 *solid section, elset=eallc, material=ABQ_EChemPET_matCathode 1 *initial conditions, type=temperature nallc, 298.1500 *initial conditions, type=solid electric potential nallc, 3.00784265 *initial conditions, type=fluid electric potential nallc, -0.6126932965 *initial conditions, type=ion concentration nallc, 1000. *initial conditions, type=saturation nallc, 1. *initial conditions, type=porosity eallc, 0.296 *elset, elset = eall ealla, ealls, eallc ** ** This is an include file to be used for Electrochemistry analysis. ** This file has the property and parameter table definitions that are ** used by the in-built user subroutines. ** *********************************************** ** TABLE TYPES AND LABELS ARE CASE SENSITIVE ** *********************************************** **---------------------------------------------------------------------- *** PARAMETER AND PROPERTY TABLES FOR ELECTROLYTE **---------------------------------------------------------------------- *PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_Electrolyte", PARAMETER = 3 STRING, " " , "ELECTROLYTE NAME " FLOAT, 1.0, "Charge number of Lithium ion battery" FLOAT, , "\MU(LI)" *PROPERTY TABLE TYPE, NAME="ABQ_EChemPET_Electrolyte_ElecCond_Tabular", PROPERTIES=1, INDEPENDENT VARIABLES=2 *PROPERTY TABLE TYPE, NAME="ABQ_EChemPET_Electrolyte_MolarActivityCoeff_fPM", PROPERTIES=1, INDEPENDENT VARIABLES = 1 *PROPERTY TABLE TYPE, NAME="ABQ_EChemPET_Electrolyte_Transference", PROPERTIES=1, INDEPENDENT VARIABLES =1 *PROPERTY TABLE TYPE, NAME="ABQ_EChemPET_Electrolyte_DiffTabular", PROPERTIES=1, INDEPENDENT VARIABLES=2 **---------------------------------------------------------------------- *** PARAMETER AND PROPERTY TABLES FOR ELECTRODE **---------------------------------------------------------------------- *PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Definition", PARAMETER=13 STRING, " ", "Region Name" STRING, " ", "Region Type: Anode / Cathode / Separator" FLOAT, , "Total volume fraction of solids" FLOAT, , "Volume fraction of electrolyte in cathode/anode" FLOAT, , "Volume fraction of binder in cathode/anode" FLOAT, , "Inactive volume fraction of solids" FLOAT, , "Fraction of utilization of the cathode (1.0 at the anode)" FLOAT, , "Capacity loss due to initial SEI formation in the first few cycles" FLOAT, , "Tortuosity factor in Thickness direction" FLOAT, , "Tortuosity factor in the Manufacturing Direction" FLOAT, , "Tortuosity factor in the Transverse Direction" FLOAT, , "Convection Coefficient" FLOAT , 1, "poreFlvelCTerm - gamma term scaling (Default is 1.0, and set 0.0 to turn off)" ** *PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Particles", PARAMETER = 5 STRING, " " , "Name of first particle type" FLOAT, , "Particle outer radius" FLOAT, , "epsilon solid phase particle" FLOAT, , "Initial concentration of particle" STRING, " " , "Formulation_Concentration or Formulation_ChemicalPotential" ** *PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Particle_Layers", PARAMETER = 2 STRING, " ", "Name of first (inner) layer - Carbon/Silicon/Binder/NMC811/NMC841/etc" FLOAT, , "Wt. percentage of layer 1" ** *PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Particle_Layer_Diffusion", PARAMETER = 3 FLOAT, 1.0E36 , "Max Li concentration in solid substance" STRING, " " , "Diffusion Model Type:" *** 1)DiffusionModel_Tabular; 2) DiffusionModel_LogTabular ;3) DiffusionModel_CoeffSpline" STRING, "DiffusionModel_ChemoMech", "Diffusion Model Type: DiffusionModel_ChemoMech" ** *PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Particle_Layer_Discretization", PARAMETER = 2 INTEGER, , "Number or segments/elements in this layer : VALUE BETWEEN 1-100" STRING, " " , "Distribution type: Uniform/Quadratic/EquiVolumetric" ** *PROPERTY TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Particle_Layer_OCPTabular", PROPERTIES = 1, INDEPENDENT VARIABLES = 1 **** "OCP/ERef as a ftn of Cs (on the Surface of the particles) (and temperatures) *** E_REF, normalized c_S ** *PARAMETER TABLE TYPE,NAME="ABQ_EChemPET_Electrode_Particle_Layer_OCPTabularNoInterp", PARAMETERS = 2 FLOAT, 0.0, "OCP" FLOAT, 0.0, "NORMALIZED CONC" ** *PROPERTY TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Particle_Layer_DsTabular", PROPERTIES = 1, INDEPENDENT VARIABLES=1 **** "D_s as a ftn of Cs (on the Surface of the particles) ** DiffusionCOEFF, normalized C_S ** *PROPERTY TABLE TYPE, NAME = "ABQ_EChemPET_Electrode_Particle_Layer_SwellingTabular", PROPERTIES = 1, INDEPENDENT VARIABLES = 1 **** "Swelling as a function of layer concentration " ** SwellingCoeff, Normalized averaged Concentration ** *PROPERTY TABLE TYPE, NAME="ABQ_EChemPET_LogScale_Tabular", PROPERTIES = 1, INDEPENDENT VARIABLES=1 ** "D_s as a ftn of Cs (on the Surface of the particles)" ** *PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_CubicSplineC2", PARAMETER = 6 *** "Define cubic spline polynomials data" FLOAT, 0.0 , "XSTART" FLOAT, 1.0 , "XEND" FLOAT, 0.0 , "COEFF_X^3" FLOAT, 0.0 , "COEFF_X^2" FLOAT, 0.0 , "COEFF_X^1" FLOAT, 0.0 , "COEFF_X^0" ** ***** BUTLER VOLMER DEFINITION **** *PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Particle_ButlerVolmer", PARAMETER = 8 FLOAT, 0.0, "Cathodic rate constant" FLOAT, 0.0, "Anodic rate constant" FLOAT, 0.0, "Cathodic transfer coefficient" FLOAT, 0.0, "Anodic transfer coefficient" FLOAT, 0.0, "Reference value of Li concentration in the electrolyte" FLOAT, 0.0, "Resistance of SEI - reduces the overpotential " FLOAT, 0.0, "partial molar volume coeff for hydrostratic stress at the surface" FLOAT, 0.0, "a_S: particle surface area/unit volume - zero for formula" ** *PROPERTY TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Particle_CurrXchgDens_Tabular", PROPERTIES = 1, INDEPENDENT VARIABLE = 1 ** I_0(C_S, T) ** *PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_Arrhenius", PARAMETER = 2 FLOAT, 0.0, "Activation energy of diffusion coeff in this layer material" FLOAT, 0.0, "Reference Temperature" ** *PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_Electrode_PowerLoss", PARAMETER = 3 FLOAT, 1.0, "Fraction of Ohmic losses" *** " to transform into heat in electrode (0.0 - 1.0)" FLOAT, 1.0, "Fraction of Ohmic losses" *** " to transform into heat in electrolyte (0.0 - 1.0)" FLOAT, 1.0, "Fraction of Ohmic losses" *** " to transform into heat due to ionic diffusion (0.0 - 1.0)" ** *PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Particle_PowerLoss", PARAMETER = 2 FLOAT, 1.0, "Fraction of Ohmic losses to transform into heat, (0.0 - 1.0)" FLOAT, 1.0, "Fraction of entropy generation terms to transform into heat (0.0 - 1.0)" ** *PROPERTY TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Particle_dUdTEntropy_Tabular", PROPERTIES = 1, INDEPENDENT VARIABLE =1 *PROPERTY TABLE TYPE, NAME="ABQ_EChemPET_Electrode_ElecCond_Tabular", PROPERTIES = 1, INDEPENDENT VARIABLE =1 *** ****** ----------------- TYPE DEFINITION - END -------------------------------------- **----------------------------------------------- ** ANODE **----------------------------------------------- **----------------------------------------------- *material, name=ABQ_EChemPET_matAnode *density 5031.67 *Elastic 1e9, 0.3 *conductivity 1.e-4 *specific heat 1437. *Permeability, specific=9810.0 1.0e-7 ************************************************************************ ************************* ELECTROLYTE ******************************** ************************************************************************ *Parameter Table, Type="ABQ_EChemPET_Electrolyte", Label="ABQ_EChemPET_Electrolyte" "PF6EthylCarb", 1.0, 1. *Property Table, Type="ABQ_EChemPET_Electrolyte_ElecCond_Tabular",Label="ABQ_EChemPET_PF6EthylCarb_CondTabular",temperature 0.322478831 , 502.32 , 0 , 263.15 0.350952891 , 746.974 , 0 , 263.15 0.340048169 , 1001.548 , 0 , 263.15 0.30927974 , 1248.766 , 0 , 263.15 0.269169513 , 1502.688 , 0 , 263.15 0.322478831 , 502.32 , 1 , 263.15 0.350952891 , 746.974 , 1 , 263.15 0.340048169 , 1001.548 , 1 , 263.15 0.30927974 , 1248.766 , 1 , 263.15 0.269169513 , 1502.688 , 1 , 263.15 0.409248181 , 502.32 , 0 , 273.15 0.445383754 , 746.974 , 0 , 273.15 0.4315449 , 1001.548 , 0 , 273.15 0.392497612 , 1248.766 , 0 , 273.15 0.34159493 , 1502.688 , 0 , 273.15 0.409248181 , 502.32 , 1 , 273.15 0.445383754 , 746.974 , 1 , 273.15 0.4315449 , 1001.548 , 1 , 273.15 0.392497612 , 1248.766 , 1 , 273.15 0.34159493 , 1502.688 , 1 , 273.15 0.510696303 , 502.32 , 0 , 283.15 0.555789487 , 746.974 , 0 , 283.15 0.538520132 , 1001.548 , 0 , 283.15 0.489793451 , 1248.766 , 0 , 283.15 0.426272555 , 1502.688 , 0 , 283.15 0.510696303 , 502.32 , 1 , 283.15 0.555789487 , 746.974 , 1 , 283.15 0.538520132 , 1001.548 , 1 , 283.15 0.489793451 , 1248.766 , 1 , 283.15 0.426272555 , 1502.688 , 1 , 283.15 0.692356951 , 502.32 , 0 , 298.15 0.753490308 , 746.974 , 0 , 298.15 0.730078042 , 1001.548 , 0 , 298.15 0.664018711 , 1248.766 , 0 , 298.15 0.577902689 , 1502.688 , 0 , 298.15 0.692356951 , 502.32 , 1 , 298.15 0.753490308 , 746.974 , 1 , 298.15 0.730078042 , 1001.548 , 1 , 298.15 0.664018711 , 1248.766 , 1 , 298.15 0.577902689 , 1502.688 , 1 , 298.15 0.911665817 , 502.32 , 0 , 313.15 0.992163589 , 746.974 , 0 , 313.15 0.961335325 , 1001.548 , 0 , 313.15 0.874351243 , 1248.766 , 0 , 313.15 0.760957374 , 1502.688 , 0 , 313.15 0.911665817 , 502.32 , 1 , 313.15 0.992163589 , 746.974 , 1 , 313.15 0.961335325 , 1001.548 , 1 , 313.15 0.874351243 , 1248.766 , 1 , 313.15 0.760957374 , 1502.688 , 1 , 313.15 1.0274782 , 502.32 , 0 , 320.15 1.118201911 , 746.974 , 0 , 320.15 1.083457415 , 1001.548 , 0 , 320.15 0.985423413 , 1248.766 , 0 , 320.15 0.857624689 , 1502.688 , 0 , 320.15 1.0274782 , 502.32 , 1 , 320.15 1.118201911 , 746.974 , 1 , 320.15 1.083457415 , 1001.548 , 1 , 320.15 0.985423413 , 1248.766 , 1 , 320.15 0.857624689 , 1502.688 , 1 , 320.15 1.115581491 , 502.32 , 0 , 325.15 1.214084498 , 746.974 , 0 , 325.15 1.176360762 , 1001.548 , 0 , 325.15 1.069920627 , 1248.766 , 0 , 325.15 0.931163531 , 1502.688 , 0 , 325.15 1.115581491 , 502.32 , 1 , 325.15 1.214084498 , 746.974 , 1 , 325.15 1.176360762 , 1001.548 , 1 , 325.15 1.069920627 , 1248.766 , 1 , 325.15 0.931163531 , 1502.688 , 1 , 325.15 1.305450823 , 502.32 , 0 , 335.15 1.42071881 , 746.974 , 0 , 335.15 1.376574583 , 1001.548 , 0 , 335.15 1.252018588 , 1248.766 , 0 , 335.15 1.089645363 , 1502.688 , 0 , 335.15 1.305450823 , 502.32 , 1 , 335.15 1.42071881 , 746.974 , 1 , 335.15 1.376574583 , 1001.548 , 1 , 335.15 1.252018588 , 1248.766 , 1 , 335.15 1.089645363 , 1502.688 , 1 , 335.15 *Property Table, Type="ABQ_EChemPET_Electrolyte_MolarActivityCoeff_fPM", Label="ABQ_EChemPET_PF6EthylCarb_MolarActivityCoeff_fPM", Temperature 0.0, 1000, 298.15 0.0, 1001, 298.15 0.0, 1000, 299.15 0.0, 1001, 299.15 *Property Table, Type="ABQ_EChemPET_Electrolyte_Transference", Label="ABQ_EChemPET_PF6EthylCarb_Transference", Temperature ** 0.48, 1000, 298.15 0.48, 1001, 298.15 0.48, 1000, 299.15 0.48, 1001, 299.15 *Property Table, Type="ABQ_EChemPET_Electrolyte_DiffTabular", Label="ABQ_EChemPET_PF6EthylCarb_DiffTabular",temperature 1.6980E-10 , 502.32 , 0 , 263.15 1.2427E-10 , 746.974 , 0 , 263.15 8.9803E-11 , 1001.548 , 0 , 263.15 6.5508E-11 , 1248.766 , 0 , 263.15 4.7378E-11 , 1502.688 , 0 , 263.15 1.6980E-10 , 502.32 , 1 , 263.15 1.2427E-10 , 746.974 , 1 , 263.15 8.9803E-11 , 1001.548 , 1 , 263.15 6.5508E-11 , 1248.766 , 1 , 263.15 4.7378E-11 , 1502.688 , 1 , 263.15 2.1549E-10 , 502.32 , 0 , 273.15 1.5771E-10 , 746.974 , 0 , 273.15 1.1397E-10 , 1001.548 , 0 , 273.15 8.3134E-11 , 1248.766 , 0 , 273.15 6.0126E-11 , 1502.688 , 0 , 273.15 2.1549E-10 , 502.32 , 1 , 273.15 1.5771E-10 , 746.974 , 1 , 273.15 1.1397E-10 , 1001.548 , 1 , 273.15 8.3134E-11 , 1248.766 , 1 , 273.15 6.0126E-11 , 1502.688 , 1 , 273.15 2.6891E-10 , 502.32 , 0 , 283.15 1.9680E-10 , 746.974 , 0 , 283.15 1.4222E-10 , 1001.548 , 0 , 283.15 1.0374E-10 , 1248.766 , 0 , 283.15 7.5031E-11 , 1502.688 , 0 , 283.15 2.6891E-10 , 502.32 , 1 , 283.15 1.9680E-10 , 746.974 , 1 , 283.15 1.4222E-10 , 1001.548 , 1 , 283.15 1.0374E-10 , 1248.766 , 1 , 283.15 7.5031E-11 , 1502.688 , 1 , 283.15 3.6456E-10 , 502.32 , 0 , 298.15 2.6681E-10 , 746.974 , 0 , 298.15 1.9281E-10 , 1001.548 , 0 , 298.15 1.4064E-10 , 1248.766 , 0 , 298.15 1.0172E-10 , 1502.688 , 0 , 298.15 3.6456E-10 , 502.32 , 1 , 298.15 2.6681E-10 , 746.974 , 1 , 298.15 1.9281E-10 , 1001.548 , 1 , 298.15 1.4064E-10 , 1248.766 , 1 , 298.15 1.0172E-10 , 1502.688 , 1 , 298.15 4.8004E-10 , 502.32 , 0 , 313.15 3.5132E-10 , 746.974 , 0 , 313.15 2.5388E-10 , 1001.548 , 0 , 313.15 1.8519E-10 , 1248.766 , 0 , 313.15 1.3394E-10 , 1502.688 , 0 , 313.15 4.8004E-10 , 502.32 , 1 , 313.15 3.5132E-10 , 746.974 , 1 , 313.15 2.5388E-10 , 1001.548 , 1 , 313.15 1.8519E-10 , 1248.766 , 1 , 313.15 1.3394E-10 , 1502.688 , 1 , 313.15 5.4102E-10 , 502.32 , 0 , 320.15 3.9595E-10 , 746.974 , 0 , 320.15 2.8613E-10 , 1001.548 , 0 , 320.15 2.0872E-10 , 1248.766 , 0 , 320.15 1.5096E-10 , 1502.688 , 0 , 320.15 5.4102E-10 , 502.32 , 1 , 320.15 3.9595E-10 , 746.974 , 1 , 320.15 2.8613E-10 , 1001.548 , 1 , 320.15 2.0872E-10 , 1248.766 , 1 , 320.15 1.5096E-10 , 1502.688 , 1 , 320.15 5.8741E-10 , 502.32 , 0 , 325.15 4.2990E-10 , 746.974 , 0 , 325.15 3.1066E-10 , 1001.548 , 0 , 325.15 2.2662E-10 , 1248.766 , 0 , 325.15 1.6390E-10 , 1502.688 , 0 , 325.15 5.8741E-10 , 502.32 , 1 , 325.15 4.2990E-10 , 746.974 , 1 , 325.15 3.1066E-10 , 1001.548 , 1 , 325.15 2.2662E-10 , 1248.766 , 1 , 325.15 1.6390E-10 , 1502.688 , 1 , 325.15 6.8739E-10 , 502.32 , 0 , 335.15 5.0307E-10 , 746.974 , 0 , 335.15 3.6354E-10 , 1001.548 , 0 , 335.15 2.6519E-10 , 1248.766 , 0 , 335.15 1.9180E-10 , 1502.688 , 0 , 335.15 6.8739E-10 , 502.32 , 1 , 335.15 5.0307E-10 , 746.974 , 1 , 335.15 3.6354E-10 , 1001.548 , 1 , 335.15 2.6519E-10 , 1248.766 , 1 , 335.15 1.9180E-10 , 1502.688 , 1 , 335.15 ** ** ** *Parameter Table, Type="ABQ_EChemPET_Electrode_Definition", Label="ABQ_EChemPET_Electrode_Definition" "Anode_LiC6", "Anode", 0.671, 0.329, 0.0, 0.445, 1.0, 0.068, 0.637, 0.637, 0.637, 1.0, 1.0 *Parameter Table, Type="ABQ_EChemPET_Electrode_Particles", Label = "ABQ_EChemPET_Anode_LiC6_Particles" "Particle1", 1.36995e-05, 1.0, 670., "Formulation_Concentration" *Parameter Table, Type="ABQ_EChemPET_Electrode_Particle_Layers", Label="ABQ_EChemPET_Anode_LiC6_Particle1_Layers" "Layer1", 1.0 *Parameter Table, Type="ABQ_EChemPET_Electrode_Particle_Layer_Diffusion", Label="ABQ_EChemPET_Anode_LiC6_Particle1_Layer1_Diffusion" 31920.0 , "DiffusionModel_CoeffSpline", "DiffusionModel_ChemoMech" *Parameter Table, Type="ABQ_EChemPET_Electrode_Particle_Layer_Discretization",Label="ABQ_EChemPET_Anode_LiC6_Particle1_Layer1_Discretization" 100, "Uniform" *** ** *Parameter Table, Type = "ABQ_EChemPET_CubicSplineC2", Label = "ABQ_EChemPET_Anode_LiC6_Particle1_Layer1_DsCubicSpline" *** xStart Xend Coeff_x3, Coeff_x2, Coeff_x1, Coeff_x0 *** yTest = c0*(xTest-xTestMin)**3+ c1*(xTest-xTestMin)**2 + c2*(xTest-xTestMin) + c3 *** where xTestMin = XStart *** ** voa - data generated from Excel file, generated consistently on July 9th ** ** ** smooth data (only 4 points used) ** 0.0 , 0.08367983366666666 , 1.2870245957487487e-11 , 7.873052612699421e-13 , -4.731088419563517e-12 , 1e-12 0.08367983366666666 , 0.16735966733333332 , 1.2870245957487949e-11 , 4.0182453841848386e-12 , -4.328960740875116e-12 , 6.171576201091375e-13 0.16735966733333332 , 0.251039501 , 2.957706730046241e-11 , 7.249185507099845e-12 , -3.38610399804175e-12 , 2.9058927655687464e-13 0.251039501 , 0.33471933466666665 , -5.01693904981073e-11 , 1.4674197723251332e-11 , -1.5515589359153729e-12 , 7.533249152111647e-14 0.33471933466666665 , 0.4183991683333333 , -1.0051267873762059e-11 , 2.0796989671323337e-12 , -1.4959564759555075e-13 , 1.8854765567562447e-14 0.4183991683333333 , 0.502079002 , 2.6918744983615633e-12 , -4.435663043142244e-13 , -1.268433851433095e-14 , 1.500976730421931e-14 0.502079002 , 0.5857588356666666 , -7.162301196841954e-13 , 2.3220052650908804e-13 , -3.0371391643890393e-14 , 1.2419663815148265e-14 0.5857588356666666 , 0.6694386693333333 , -3.2811672797398284e-13 , 5.239847466239736e-14 , -6.556194564161031e-15 , 1.1084455100349321e-14 0.6694386693333333 , 0.7531185029999999 , 1.3692355536634583e-13 , -2.997178499794402e-14 , -4.6795329033456246e-15 , 1.0710483609002669e-14 0.7531185029999999 , 0.8367983366666666 , 8.088020655696331e-14 , 4.4014360163693425e-15 , -6.8192554529224144e-15 , 1.0189259909480995e-14 0.8367983366666666 , 0.9204781703333332 , 9.489104375931035e-14 , 2.4705562711206353e-14 , -4.383586640863005e-15 , 9.696837947641095e-15 0.9204781703333332 , 1.004158004 , 9.489104375931042e-14 , 4.85269629859128e-14 , 1.744498928461815e-15 , 9.558617914231313e-15 ** *Parameter Table, Type="ABQ_EChemPET_Arrhenius", Label="ABQ_EChemPET_Anode_LiC6_Particle1_Layer1_DiffArrhenius" 30300, 296.15, ***-------------------------------------------- *Property Table, Type="ABQ_EChemPET_Electrode_Particle_Layer_OCPTabular", Label="ABQ_EChemPET_Anode_LiC6_Particle1_Layer1_OCPTabular" **** , , **** [V] [-] (normalization) [K] - Ecker JES 2015a Fig 5(a) 1.438220634, 0.00329213 0.854711669, 0.007680356 0.525254409, 0.025798611 0.360563277, 0.04578215 0.27138731, 0.0658503 0.219980463, 0.089322113 0.209832932, 0.133008223 0.192814618, 0.175005961 0.168942826, 0.220357365 0.155362788, 0.264039629 0.148630458, 0.302687548 0.128191174, 0.348042798 0.124897121, 0.388375241 0.125058651, 0.435434246 0.125208643, 0.479131893 0.122001123, 0.544674518 0.101654142, 0.616920627 0.088177944, 0.690855108 0.085356942, 0.869003208 0.085576161, 0.932868999 0.072076888, 1 ** *Parameter Table, Type="ABQ_EChemPET_Electrode_Particle_Layer_OCPTabularNoInterp", Label="ABQ_EChemPET_Anode_LiC6_Particle1_Layer1_OCPTabularCharge" ** , , ** [V] [-] (normalized conc) 1.438220634, 0.00329213 0.854711669, 0.007680356 0.525254409, 0.025798611 0.360563277, 0.04578215 0.27138731, 0.0658503 0.219980463, 0.089322113 0.209832932, 0.133008223 0.192814618, 0.175005961 0.168942826, 0.220357365 0.155362788, 0.264039629 0.148630458, 0.302687548 0.128191174, 0.348042798 0.124897121, 0.388375241 0.125058651, 0.435434246 0.125208643, 0.479131893 0.122001123, 0.544674518 0.101654142, 0.616920627 0.088177944, 0.690855108 0.085356942, 0.869003208 0.085576161, 0.932868999 0.072076888, 1 *Parameter Table, Type="ABQ_EChemPET_Electrode_Particle_Layer_OCPTabularNoInterp", Label="ABQ_EChemPET_Anode_LiC6_Particle1_Layer1_OCPTabularDisCharge" ** , , ** [V] [-] (normalized conc) 1.438220634, 0.00329213 0.854711669, 0.007680356 0.525254409, 0.025798611 0.360563277, 0.04578215 0.27138731, 0.0658503 0.219980463, 0.089322113 0.209832932, 0.133008223 0.192814618, 0.175005961 0.168942826, 0.220357365 0.155362788, 0.264039629 0.148630458, 0.302687548 0.128191174, 0.348042798 0.124897121, 0.388375241 0.125058651, 0.435434246 0.125208643, 0.479131893 0.122001123, 0.544674518 0.101654142, 0.616920627 0.088177944, 0.690855108 0.085356942, 0.869003208 0.085576161, 0.932868999 0.072076888, 1 ** ** ------------------------------------------------------------------ Swelling ** SWELLING INFORMATION PER LAYER *Property Table, Type = "ABQ_EChemPET_Electrode_Particle_Layer_SwellingTabular", Label = "ABQ_EChemPET_Anode_LiC6_Particle1_Layer1_SwellingTabular" 1, 0 1.05, 1 ** SWELLING DIRECTIONAL PROPERTY ***Parameter table, type="ABQ_EChemPET_Electrode_Swelling", Label = "EChemPET_Anode_LiC6_Swelling" **1.,0.,0. ** ------------------------------------------------------------------ Swelling ** ** BUTLER VOLMER EQUATIONS *Parameter Table, Type="ABQ_EChemPET_Electrode_Particle_ButlerVolmer", Label="ABQ_EChemPET_Anode_LiC6_Particle1_ButlerVolmer" ** k_c, k_a, alpha_c, alpha_a, 1.0, 0.0, 0.0, 0.0 ** [-] [-] [-] [-] [mol/m3] [Omega/m2] [-] 1.1942e-10, 1.1942e-10, 0.511, 0.489, 1.0, 0., 0., 0.0 ** ** *Parameter Table, Type="ABQ_EChemPET_Arrhenius", Label="ABQ_EChemPET_Anode_LiC6_Particle1_BVArrhenius" 53400., 296.15, *Parameter Table, Type="ABQ_EChemPET_Electrode_Particle_PowerLoss", Label="ABQ_EChemPET_Anode_LiC6_Particle1_PowerLoss" ** , General Assumption 1., 1. *Property Table, Type ="ABQ_EChemPET_Electrode_Particle_dUdTEntropy_Tabular", Label="ABQ_EChemPET_Anode_LiC6_Particle1_dUdTEntropy_Tabular" ** , - Mastali 2018 Fig 6 (used LiC data) Need to define the unit of dU/dT ** [V/K] [-] 0.000642593, 0 5.92593E-05, 0.100671141 3.14815E-05, 0.110738255 -3.33333E-05, 0.19966443 -0.000107407, 0.30033557 -0.000135185, 0.399328859 -0.000153704, 0.453020134 -0.000156019, 0.473154362 -0.0001375, 0.488255034 -0.000144444, 0.510067114 -5.55556E-06, 0.52852349 -2.87037E-05, 0.55033557 -3.56481E-05, 0.573825503 -3.33333E-05, 0.600671141 -3.56481E-05, 0.654362416 -4.72222E-05, 0.701342282 -4.72222E-05, 0.75 -6.34259E-05, 0.802013423 -7.5E-05, 0.902684564 -0.000100463, 0.94966443 -0.000183796, 1 *** *Parameter Table, Type="ABQ_EChemPET_Electrode_PowerLoss", Label="ABQ_EChemPET_Anode_LiC6_PowerLoss" ** Terms3, term4, term5 Kumaresan A10 1.0, 1.0, 1.0 *Property Table, Type="ABQ_EChemPET_Electrode_ElecCond_Tabular", Label="ABQ_EChemPET_Anode_LiC6_ElecCond_Tabular", Temperature ** , , -Ecker 2015b Table II 0.14e2, 0.0, 290.15, 0.14e2, 1.0, 290.15, 0.14e2, 0.0, 298.15, 0.14e2, 1.0, 298.15, *Porous Electrode Theory **----------------------------------------------- ** CATHODE **----------------------------------------------- **----------------------------------------------- *material, name=ABQ_EChemPET_matCathode *density 2292.0 *Elastic 2e9, 0.3 *conductivity 1.e-4 *specific heat 900. *Permeability, specific=9810.0 5.0e-8 ************************************************************************ ************************* ELECTROLYTE ******************************** ************************************************************************ *Parameter Table, Type="ABQ_EChemPET_Electrolyte", Label="ABQ_EChemPET_Electrolyte" "PF6EthylCarb", 1.0, 1. *Property Table, Type="ABQ_EChemPET_Electrolyte_ElecCond_Tabular",Label="ABQ_EChemPET_PF6EthylCarb_CondTabular",temperature 0.322478831 , 502.32 , 0 , 263.15 0.350952891 , 746.974 , 0 , 263.15 0.340048169 , 1001.548 , 0 , 263.15 0.30927974 , 1248.766 , 0 , 263.15 0.269169513 , 1502.688 , 0 , 263.15 0.322478831 , 502.32 , 1 , 263.15 0.350952891 , 746.974 , 1 , 263.15 0.340048169 , 1001.548 , 1 , 263.15 0.30927974 , 1248.766 , 1 , 263.15 0.269169513 , 1502.688 , 1 , 263.15 0.409248181 , 502.32 , 0 , 273.15 0.445383754 , 746.974 , 0 , 273.15 0.4315449 , 1001.548 , 0 , 273.15 0.392497612 , 1248.766 , 0 , 273.15 0.34159493 , 1502.688 , 0 , 273.15 0.409248181 , 502.32 , 1 , 273.15 0.445383754 , 746.974 , 1 , 273.15 0.4315449 , 1001.548 , 1 , 273.15 0.392497612 , 1248.766 , 1 , 273.15 0.34159493 , 1502.688 , 1 , 273.15 0.510696303 , 502.32 , 0 , 283.15 0.555789487 , 746.974 , 0 , 283.15 0.538520132 , 1001.548 , 0 , 283.15 0.489793451 , 1248.766 , 0 , 283.15 0.426272555 , 1502.688 , 0 , 283.15 0.510696303 , 502.32 , 1 , 283.15 0.555789487 , 746.974 , 1 , 283.15 0.538520132 , 1001.548 , 1 , 283.15 0.489793451 , 1248.766 , 1 , 283.15 0.426272555 , 1502.688 , 1 , 283.15 0.692356951 , 502.32 , 0 , 298.15 0.753490308 , 746.974 , 0 , 298.15 0.730078042 , 1001.548 , 0 , 298.15 0.664018711 , 1248.766 , 0 , 298.15 0.577902689 , 1502.688 , 0 , 298.15 0.692356951 , 502.32 , 1 , 298.15 0.753490308 , 746.974 , 1 , 298.15 0.730078042 , 1001.548 , 1 , 298.15 0.664018711 , 1248.766 , 1 , 298.15 0.577902689 , 1502.688 , 1 , 298.15 0.911665817 , 502.32 , 0 , 313.15 0.992163589 , 746.974 , 0 , 313.15 0.961335325 , 1001.548 , 0 , 313.15 0.874351243 , 1248.766 , 0 , 313.15 0.760957374 , 1502.688 , 0 , 313.15 0.911665817 , 502.32 , 1 , 313.15 0.992163589 , 746.974 , 1 , 313.15 0.961335325 , 1001.548 , 1 , 313.15 0.874351243 , 1248.766 , 1 , 313.15 0.760957374 , 1502.688 , 1 , 313.15 1.0274782 , 502.32 , 0 , 320.15 1.118201911 , 746.974 , 0 , 320.15 1.083457415 , 1001.548 , 0 , 320.15 0.985423413 , 1248.766 , 0 , 320.15 0.857624689 , 1502.688 , 0 , 320.15 1.0274782 , 502.32 , 1 , 320.15 1.118201911 , 746.974 , 1 , 320.15 1.083457415 , 1001.548 , 1 , 320.15 0.985423413 , 1248.766 , 1 , 320.15 0.857624689 , 1502.688 , 1 , 320.15 1.115581491 , 502.32 , 0 , 325.15 1.214084498 , 746.974 , 0 , 325.15 1.176360762 , 1001.548 , 0 , 325.15 1.069920627 , 1248.766 , 0 , 325.15 0.931163531 , 1502.688 , 0 , 325.15 1.115581491 , 502.32 , 1 , 325.15 1.214084498 , 746.974 , 1 , 325.15 1.176360762 , 1001.548 , 1 , 325.15 1.069920627 , 1248.766 , 1 , 325.15 0.931163531 , 1502.688 , 1 , 325.15 1.305450823 , 502.32 , 0 , 335.15 1.42071881 , 746.974 , 0 , 335.15 1.376574583 , 1001.548 , 0 , 335.15 1.252018588 , 1248.766 , 0 , 335.15 1.089645363 , 1502.688 , 0 , 335.15 1.305450823 , 502.32 , 1 , 335.15 1.42071881 , 746.974 , 1 , 335.15 1.376574583 , 1001.548 , 1 , 335.15 1.252018588 , 1248.766 , 1 , 335.15 1.089645363 , 1502.688 , 1 , 335.15 *Property Table, Type="ABQ_EChemPET_Electrolyte_MolarActivityCoeff_fPM", Label="ABQ_EChemPET_PF6EthylCarb_MolarActivityCoeff_fPM", Temperature 0.0, 1000, 298.15 0.0, 1001, 298.15 0.0, 1000, 299.15 0.0, 1001, 299.15 *Property Table, Type="ABQ_EChemPET_Electrolyte_Transference", Label="ABQ_EChemPET_PF6EthylCarb_Transference", Temperature ** 0.48, 1000, 298.15 0.48, 1001, 298.15 0.48, 1000, 299.15 0.48, 1001, 299.15 *Property Table, Type="ABQ_EChemPET_Electrolyte_DiffTabular", Label="ABQ_EChemPET_PF6EthylCarb_DiffTabular",temperature 1.6980E-10 , 502.32 , 0 , 263.15 1.2427E-10 , 746.974 , 0 , 263.15 8.9803E-11 , 1001.548 , 0 , 263.15 6.5508E-11 , 1248.766 , 0 , 263.15 4.7378E-11 , 1502.688 , 0 , 263.15 1.6980E-10 , 502.32 , 1 , 263.15 1.2427E-10 , 746.974 , 1 , 263.15 8.9803E-11 , 1001.548 , 1 , 263.15 6.5508E-11 , 1248.766 , 1 , 263.15 4.7378E-11 , 1502.688 , 1 , 263.15 2.1549E-10 , 502.32 , 0 , 273.15 1.5771E-10 , 746.974 , 0 , 273.15 1.1397E-10 , 1001.548 , 0 , 273.15 8.3134E-11 , 1248.766 , 0 , 273.15 6.0126E-11 , 1502.688 , 0 , 273.15 2.1549E-10 , 502.32 , 1 , 273.15 1.5771E-10 , 746.974 , 1 , 273.15 1.1397E-10 , 1001.548 , 1 , 273.15 8.3134E-11 , 1248.766 , 1 , 273.15 6.0126E-11 , 1502.688 , 1 , 273.15 2.6891E-10 , 502.32 , 0 , 283.15 1.9680E-10 , 746.974 , 0 , 283.15 1.4222E-10 , 1001.548 , 0 , 283.15 1.0374E-10 , 1248.766 , 0 , 283.15 7.5031E-11 , 1502.688 , 0 , 283.15 2.6891E-10 , 502.32 , 1 , 283.15 1.9680E-10 , 746.974 , 1 , 283.15 1.4222E-10 , 1001.548 , 1 , 283.15 1.0374E-10 , 1248.766 , 1 , 283.15 7.5031E-11 , 1502.688 , 1 , 283.15 3.6456E-10 , 502.32 , 0 , 298.15 2.6681E-10 , 746.974 , 0 , 298.15 1.9281E-10 , 1001.548 , 0 , 298.15 1.4064E-10 , 1248.766 , 0 , 298.15 1.0172E-10 , 1502.688 , 0 , 298.15 3.6456E-10 , 502.32 , 1 , 298.15 2.6681E-10 , 746.974 , 1 , 298.15 1.9281E-10 , 1001.548 , 1 , 298.15 1.4064E-10 , 1248.766 , 1 , 298.15 1.0172E-10 , 1502.688 , 1 , 298.15 4.8004E-10 , 502.32 , 0 , 313.15 3.5132E-10 , 746.974 , 0 , 313.15 2.5388E-10 , 1001.548 , 0 , 313.15 1.8519E-10 , 1248.766 , 0 , 313.15 1.3394E-10 , 1502.688 , 0 , 313.15 4.8004E-10 , 502.32 , 1 , 313.15 3.5132E-10 , 746.974 , 1 , 313.15 2.5388E-10 , 1001.548 , 1 , 313.15 1.8519E-10 , 1248.766 , 1 , 313.15 1.3394E-10 , 1502.688 , 1 , 313.15 5.4102E-10 , 502.32 , 0 , 320.15 3.9595E-10 , 746.974 , 0 , 320.15 2.8613E-10 , 1001.548 , 0 , 320.15 2.0872E-10 , 1248.766 , 0 , 320.15 1.5096E-10 , 1502.688 , 0 , 320.15 5.4102E-10 , 502.32 , 1 , 320.15 3.9595E-10 , 746.974 , 1 , 320.15 2.8613E-10 , 1001.548 , 1 , 320.15 2.0872E-10 , 1248.766 , 1 , 320.15 1.5096E-10 , 1502.688 , 1 , 320.15 5.8741E-10 , 502.32 , 0 , 325.15 4.2990E-10 , 746.974 , 0 , 325.15 3.1066E-10 , 1001.548 , 0 , 325.15 2.2662E-10 , 1248.766 , 0 , 325.15 1.6390E-10 , 1502.688 , 0 , 325.15 5.8741E-10 , 502.32 , 1 , 325.15 4.2990E-10 , 746.974 , 1 , 325.15 3.1066E-10 , 1001.548 , 1 , 325.15 2.2662E-10 , 1248.766 , 1 , 325.15 1.6390E-10 , 1502.688 , 1 , 325.15 6.8739E-10 , 502.32 , 0 , 335.15 5.0307E-10 , 746.974 , 0 , 335.15 3.6354E-10 , 1001.548 , 0 , 335.15 2.6519E-10 , 1248.766 , 0 , 335.15 1.9180E-10 , 1502.688 , 0 , 335.15 6.8739E-10 , 502.32 , 1 , 335.15 5.0307E-10 , 746.974 , 1 , 335.15 3.6354E-10 , 1001.548 , 1 , 335.15 2.6519E-10 , 1248.766 , 1 , 335.15 1.9180E-10 , 1502.688 , 1 , 335.15 ** ** ** *Parameter Table, Type="ABQ_EChemPET_Electrode_Definition", Label="ABQ_EChemPET_Electrode_Definition" "Cathode_NMC60", "Cathode", 0.704, 0.296, 0.0, 0.42, 1.0, 0.068, 0.544, 0.544, 0.544, 1.0, 1.0 *Parameter Table, Type="ABQ_EChemPET_Electrode_Particles", Label = "ABQ_EChemPET_Cathode_NMC60_Particles" "Particle1", 6.49e-06, 1.0, 44694., "Formulation_Concentration" ** *Parameter Table, Type="ABQ_EChemPET_Electrode_Particle_Layers", Label="ABQ_EChemPET_Cathode_NMC60_Particle1_Layers" "Layer1", 1.0 *Parameter Table, Type="ABQ_EChemPET_Electrode_Particle_Layer_Diffusion", Label="ABQ_EChemPET_Cathode_NMC60_Particle1_Layer1_Diffusion" 48580.0 , "DiffusionModel_CoeffSpline", "DiffusionModel_ChemoMech" *Parameter Table, Type="ABQ_EChemPET_Electrode_Particle_Layer_Discretization",Label="ABQ_EChemPET_Cathode_NMC60_Particle1_Layer1_Discretization" 100, "Uniform" *** *** USE SPLINE FORM FOR DIFFUSION *** ** *Parameter Table, Type = "ABQ_EChemPET_CubicSplineC2", Label = "ABQ_EChemPET_Cathode_NMC60_Particle1_Layer1_DsCubicSpline" *** xStart Xend Coeff_x3, Coeff_x2, Coeff_x1, Coeff_x0 *** yTest = c0*(xTest-xTestMin)**3+ c1*(xTest-xTestMin)**2 + c2*(xTest-xTestMin) + c3 *** where xTestMin = XStart *** **------------------------------------------------ ** Direct coefficient (10**(10^-4 * data in the paper)). Added zero point. **------------------------------------------------ ** 0.0 , 0.033339067433333335 , 9.202221276927124e-12 , 5.139019658267758e-12 , 1.7316421443910863e-13 , 6.30957e-14 0.033339067433333335 , 0.06667813486666667 , 9.202221276927306e-12 , 6.059400085331539e-12 , 5.465090854177371e-13 , 7.492181887259585e-14 0.06667813486666667 , 0.1000172023 , -1.1824530895477272e-10 , 6.979780512395297e-12 , 9.812232066407653e-13 , 1.0021790436075291e-13 0.1000172023 , 0.13335626973333334 , 3.9154481197202923e-10 , -4.846784474360222e-12 , 1.05233530538785e-12 , 1.363072347305513e-13 0.13335626973333334 , 0.16669533716666668 , -4.92333953704519e-10 , 3.431443219416177e-11 , 2.034759199820023e-12 , 1.8051308824807124e-13 0.16669533716666668 , 0.2000344046 , -2.8938953189432223e-10 , -1.4927432452661987e-11 , 2.6811036915319013e-12 , 2.682463251205928e-13 0.2000344046 , 0.23337347203333333 , 4.5849029280414045e-10 , -4.3871363807638695e-11 , 7.208066580109105e-13 , 3.3031641592213136e-13 0.23337347203333333 , 0.2667125394666667 , -2.6845144759674753e-11 , 1.9855525603392677e-12 , -6.756272276626772e-13 , 3.2257459251265426e-13 0.2667125394666667 , 0.3000516069 , -3.443750782645097e-11 , -6.994237138619175e-13 , -6.327488913220133e-13 , 3.012619615922319e-13 0.3000516069 , 0.33339067433333336 , -4.463829861260742e-12 , -4.143766900847903e-12 , -7.942163498183107e-13 , 2.7811317718908874e-13 0.33339067433333336 , 0.3667297417666667 , 8.852903476857824e-11 , -4.590226675114393e-12 , -1.0853995506096185e-12 , 2.468635627458888e-13 0.3667297417666667 , 0.4000688092 , -3.117209589275459e-11 , 4.264199704758213e-12 , -1.096268985759408e-12 , 2.0885589274772592e-13 0.4000688092 , 0.43340787663333336 , -3.2979590121215785e-11 , 1.1464538837375537e-12 , -9.158828409141399e-13 , 1.7589181902276464e-13 0.43340787663333336 , 0.46674694406666667 , 1.636929307107369e-12 , -2.15207245318718e-12 , -9.49409226213233e-13 , 1.4540931840341447e-13 0.46674694406666667 , 0.5000860115 , 7.664814968618173e-11 , -1.9883513635274477e-12 , -1.0874470950412608e-12 , 1.1142554412801808e-13 0.5000860115 , 0.5334250789333334 , -3.1082227340161325e-11 , 5.677782129556058e-12 , -9.64444913942018e-13 , 7.580131828233043e-14 0.5334250789333334 , 0.5667641463666667 , -3.1597445067096253e-12 , 2.5690247097405366e-12 , -6.895040646170336e-13 , 4.880665391995776e-14 0.5667641463666667 , 0.6001032138 , -2.5015771105533318e-11 , 2.2529959041966324e-12 , -5.287423942040584e-13 , 2.8557597488937596e-14 0.6001032138 , 0.6334422812333333 , 1.971597090221542e-10 , -2.4901153515597375e-13 , -4.619314241892664e-13 , 1.2507021004167355e-14 0.6334422812333333 , 0.6667813486666667 , -2.1394211566906188e-10 , 1.9470350967521982e-11 , 1.788901073053736e-13 , 4.135863959901705e-15 0.6667813486666667 , 0.7001204161 , 5.793699822449411e-10 , -1.9275408958405827e-12 , 7.63751035255319e-13 , 2.381318826032534e-14 0.7001204161 , 0.7334594835333333 , -1.2008443617554933e-09 , 5.601942382489899e-11 , 2.567123967823165e-12 , 6.860270978997287e-14 0.7334594835333333 , 0.7667985509666667 , 4.29036222714556e-10 , -6.408566963561468e-11 , 2.298202854805871e-12 , 1.7195477609713817e-13 0.7667985509666667 , 0.8001376184 , 3.370545475111118e-10 , -2.117466695434501e-11 , -5.44297256155496e-13 , 1.9324234844118794e-13 0.8001376184 , 0.8334766858333333 , -8.091891399894128e-11 , 1.253658591020875e-11 , -8.322828225805526e-13 , 1.640504277968878e-13 0.8334766858333333 , 0.8668157532666667 , -1.9926643464046547e-10 , 4.4433025188803245e-12 , -2.661891772326749e-13 , 1.4723868362818726e-13 0.8668157532666667 , 0.9001548207000001 , -6.649956143759588e-11 , -1.5486768786154834e-11 , -6.34368043815083e-13 , 1.3591883851186926e-13 0.9001548207000001 , 0.9334938881333333 , 5.291854356117718e-10 , -2.2137868875320166e-11 , -1.888738375965732e-12 , 9.509193997110691e-14 0.9334938881333333 , 0.9668329555666667 , -1.7542593882895528e-10 , 3.078977789247592e-11 , -1.6002917978157121e-12 , 2.7126645354644346e-14 0.9668329555666667 , 1.000172023 , -1.7542593882895487e-10 , 1.3244166279952868e-11 , -1.3224116369547227e-13 , 1.4964340392054496e-15 *Parameter Table, Type="ABQ_EChemPET_Arrhenius", Label = "ABQ_EChemPET_Cathode_NMC60_Particle1_Layer1_DiffArrhenius" 80600., 296.15, ***-------------------------------------------- *Property Table, Type="ABQ_EChemPET_Electrode_Particle_Layer_OCPTabular", Label="ABQ_EChemPET_Cathode_NMC60_Particle1_Layer1_OCPTabular" ***** , , ***** [V] [-] (normalization) [K] - Ecker JES 2015a Fig 5(a) 4.582938389, 0 4.545023697, 0.040268456 4.526066351, 0.087248322 4.469194313, 0.134228188 4.393364929, 0.182885906 4.298578199, 0.228187919 4.213270142, 0.275167785 4.146919431, 0.322147651 4.08056872, 0.365771812 4.033175355, 0.411073826 3.985781991, 0.463087248 3.952606635, 0.505033557 3.928909953, 0.55033557 3.91943128, 0.57885906 3.909952607, 0.620805369 3.900473934, 0.67114094 3.881516588, 0.714765101 3.819905213, 0.765100671 3.748815166, 0.812080537 3.706161137, 0.855704698 3.6492891, 0.901006711 3.578199052, 0.947986577 3.511848341, 1 *Parameter Table, Type="ABQ_EChemPET_Electrode_Particle_Layer_OCPTabularNoInterp", Label="ABQ_EChemPET_Cathode_NMC60_Particle1_Layer1_OCPTabularCharge" ***** , , ***** [V] [-] (normalization) [K] - Ecker JES 2015a Fig 5(a) 4.582938389, 0 4.545023697, 0.040268456 4.526066351, 0.087248322 4.469194313, 0.134228188 4.393364929, 0.182885906 4.298578199, 0.228187919 4.213270142, 0.275167785 4.146919431, 0.322147651 4.08056872, 0.365771812 4.033175355, 0.411073826 3.985781991, 0.463087248 3.952606635, 0.505033557 3.928909953, 0.55033557 3.91943128, 0.57885906 3.909952607, 0.620805369 3.900473934, 0.67114094 3.881516588, 0.714765101 3.819905213, 0.765100671 3.748815166, 0.812080537 3.706161137, 0.855704698 3.6492891, 0.901006711 3.578199052, 0.947986577 3.511848341, 1 *Parameter Table, Type="ABQ_EChemPET_Electrode_Particle_Layer_OCPTabularNoInterp", Label="ABQ_EChemPET_Cathode_NMC60_Particle1_Layer1_OCPTabularDisCharge" ***** , , ***** [V] [-] (normalization) [K] - Ecker JES 2015a Fig 5(a) 4.582938389, 0 4.545023697, 0.040268456 4.526066351, 0.087248322 4.469194313, 0.134228188 4.393364929, 0.182885906 4.298578199, 0.228187919 4.213270142, 0.275167785 4.146919431, 0.322147651 4.08056872, 0.365771812 4.033175355, 0.411073826 3.985781991, 0.463087248 3.952606635, 0.505033557 3.928909953, 0.55033557 3.91943128, 0.57885906 3.909952607, 0.620805369 3.900473934, 0.67114094 3.881516588, 0.714765101 3.819905213, 0.765100671 3.748815166, 0.812080537 3.706161137, 0.855704698 3.6492891, 0.901006711 3.578199052, 0.947986577 3.511848341, 1 ** ** ------------------------------------------------------------------ Swelling ** SWELLING INFORMATION PER LAYER *Property Table, Type = "ABQ_EChemPET_Electrode_Particle_Layer_SwellingTabular", Label = "ABQ_EChemPET_Cathode_NMC60_Particle1_Layer1_SwellingTabular" 1, 0 1.01, 1 ** SWELLING DIRECTIONAL PROPERTY ***Parameter table, type="ABQ_EChemPET_Electrode_Swelling", Label = "EChemPET_Anode_LiC6_Swelling" **1.,0.,0. ** ------------------------------------------------------------------ Swelling ** BUTLER VOLMER EQUATIONS *Parameter Table, Type="ABQ_EChemPET_Electrode_Particle_ButlerVolmer", Label="ABQ_EChemPET_Cathode_NMC60_Particle1_ButlerVolmer" ** k_c, k_a,alpha_c,alpha_a, 1.0, 0.0, 0.0, 0.0 ** [-] [-] [-] [-] [mol/m3] [Omega/m2] [-] 2.497e-11, 2.497e-11, 0.473, 0.527, 1.0, 0., 0., 0.0 ** ** ** *Parameter Table, Type="ABQ_EChemPET_Arrhenius", Label="ABQ_EChemPET_Cathode_NMC60_Particle1_BVArrhenius" 43600., 296.15, *Parameter Table, Type="ABQ_EChemPET_Electrode_Particle_PowerLoss", Label="ABQ_EChemPET_Cathode_NMC60_Particle1_PowerLoss" ** , General Assumption 1., 1. *Property Table, Type ="ABQ_EChemPET_Electrode_Particle_dUdTEntropy_Tabular", Label="ABQ_EChemPET_Cathode_NMC60_Particle1_dUdTEntropy_Tabular" ** , - Mastali 2018 Fig 6 (used LiC data) Need to define the unit of dU/dT ** [V/K] [-] -1.80541E-05, 0.001273153 5.8393E-05, 0.051527977 3.41491E-05, 0.104780497 1.68457E-05, 0.154722819 5.3295E-06, 0.204684432 -3.87579E-06, 0.251320414 -2.11752E-05, 0.304596083 -2.45935E-05, 0.351251355 -3.84265E-05, 0.399538578 -4.53092E-05, 0.452848969 -5.79809E-05, 0.504473397 -5.90901E-05, 0.546136366 -7.17541E-05, 0.604427486 -7.51762E-05, 0.647749413 -8.89996E-05, 0.704370001 -9.589E-05, 0.7510137 -0.000123614, 0.797587954 -0.000139756, 0.85086748 -7.48849E-05, 0.89941705 -0.000169731, 0.95243423 -0.000375694, 1.0000 *** *Parameter Table, Type="ABQ_EChemPET_Electrode_PowerLoss", Label="ABQ_EChemPET_Cathode_NMC60_PowerLoss" ** Terms3, term4, term5 Kumaresan A10 1.0, 1.0, 1.0 *Property Table, Type="ABQ_EChemPET_Electrode_ElecCond_Tabular", Label="ABQ_EChemPET_Cathode_NMC60_ElecCond_Tabular", Temperature ** , , -Ecker 2015b Table II 0.681e2, 0.0, 290.15 0.681e2, 1.0, 290.15 0.681e2, 0.0, 298.15 0.681e2, 1.0, 298.15 *Porous Electrode Theory **From Ecker *material, name=ABQ_EChemPET_matSeparator *elastic 1e8, 0.3 *density ** Rho [Kg/m^3] - Allu JPS 2014, Table 2 1210 *specific heat ** Cp ** [J/Kg-K] - Allu JPS 2014, Table 2 1978 ** ----------- *conductivity ** K ** [W/m-K] - Allu JPS 2014, Table 2 1.e-4 *Permeability, specific=9810.0 1.0e-8 ************************************************************************ ************************* ELECTROLYTE ******************************** ************************************************************************ *Parameter Table, Type="ABQ_EChemPET_Electrolyte", Label="ABQ_EChemPET_Electrolyte" "PF6EthylCarb", 1.0, 1. *Property Table, Type="ABQ_EChemPET_Electrolyte_ElecCond_Tabular",Label="ABQ_EChemPET_PF6EthylCarb_CondTabular",temperature 0.322478831 , 502.32 , 0 , 263.15 0.350952891 , 746.974 , 0 , 263.15 0.340048169 , 1001.548 , 0 , 263.15 0.30927974 , 1248.766 , 0 , 263.15 0.269169513 , 1502.688 , 0 , 263.15 0.322478831 , 502.32 , 1 , 263.15 0.350952891 , 746.974 , 1 , 263.15 0.340048169 , 1001.548 , 1 , 263.15 0.30927974 , 1248.766 , 1 , 263.15 0.269169513 , 1502.688 , 1 , 263.15 0.409248181 , 502.32 , 0 , 273.15 0.445383754 , 746.974 , 0 , 273.15 0.4315449 , 1001.548 , 0 , 273.15 0.392497612 , 1248.766 , 0 , 273.15 0.34159493 , 1502.688 , 0 , 273.15 0.409248181 , 502.32 , 1 , 273.15 0.445383754 , 746.974 , 1 , 273.15 0.4315449 , 1001.548 , 1 , 273.15 0.392497612 , 1248.766 , 1 , 273.15 0.34159493 , 1502.688 , 1 , 273.15 0.510696303 , 502.32 , 0 , 283.15 0.555789487 , 746.974 , 0 , 283.15 0.538520132 , 1001.548 , 0 , 283.15 0.489793451 , 1248.766 , 0 , 283.15 0.426272555 , 1502.688 , 0 , 283.15 0.510696303 , 502.32 , 1 , 283.15 0.555789487 , 746.974 , 1 , 283.15 0.538520132 , 1001.548 , 1 , 283.15 0.489793451 , 1248.766 , 1 , 283.15 0.426272555 , 1502.688 , 1 , 283.15 0.692356951 , 502.32 , 0 , 298.15 0.753490308 , 746.974 , 0 , 298.15 0.730078042 , 1001.548 , 0 , 298.15 0.664018711 , 1248.766 , 0 , 298.15 0.577902689 , 1502.688 , 0 , 298.15 0.692356951 , 502.32 , 1 , 298.15 0.753490308 , 746.974 , 1 , 298.15 0.730078042 , 1001.548 , 1 , 298.15 0.664018711 , 1248.766 , 1 , 298.15 0.577902689 , 1502.688 , 1 , 298.15 0.911665817 , 502.32 , 0 , 313.15 0.992163589 , 746.974 , 0 , 313.15 0.961335325 , 1001.548 , 0 , 313.15 0.874351243 , 1248.766 , 0 , 313.15 0.760957374 , 1502.688 , 0 , 313.15 0.911665817 , 502.32 , 1 , 313.15 0.992163589 , 746.974 , 1 , 313.15 0.961335325 , 1001.548 , 1 , 313.15 0.874351243 , 1248.766 , 1 , 313.15 0.760957374 , 1502.688 , 1 , 313.15 1.0274782 , 502.32 , 0 , 320.15 1.118201911 , 746.974 , 0 , 320.15 1.083457415 , 1001.548 , 0 , 320.15 0.985423413 , 1248.766 , 0 , 320.15 0.857624689 , 1502.688 , 0 , 320.15 1.0274782 , 502.32 , 1 , 320.15 1.118201911 , 746.974 , 1 , 320.15 1.083457415 , 1001.548 , 1 , 320.15 0.985423413 , 1248.766 , 1 , 320.15 0.857624689 , 1502.688 , 1 , 320.15 1.115581491 , 502.32 , 0 , 325.15 1.214084498 , 746.974 , 0 , 325.15 1.176360762 , 1001.548 , 0 , 325.15 1.069920627 , 1248.766 , 0 , 325.15 0.931163531 , 1502.688 , 0 , 325.15 1.115581491 , 502.32 , 1 , 325.15 1.214084498 , 746.974 , 1 , 325.15 1.176360762 , 1001.548 , 1 , 325.15 1.069920627 , 1248.766 , 1 , 325.15 0.931163531 , 1502.688 , 1 , 325.15 1.305450823 , 502.32 , 0 , 335.15 1.42071881 , 746.974 , 0 , 335.15 1.376574583 , 1001.548 , 0 , 335.15 1.252018588 , 1248.766 , 0 , 335.15 1.089645363 , 1502.688 , 0 , 335.15 1.305450823 , 502.32 , 1 , 335.15 1.42071881 , 746.974 , 1 , 335.15 1.376574583 , 1001.548 , 1 , 335.15 1.252018588 , 1248.766 , 1 , 335.15 1.089645363 , 1502.688 , 1 , 335.15 *Property Table, Type="ABQ_EChemPET_Electrolyte_MolarActivityCoeff_fPM", Label="ABQ_EChemPET_PF6EthylCarb_MolarActivityCoeff_fPM", Temperature 0.0, 1000, 298.15 0.0, 1001, 298.15 0.0, 1000, 299.15 0.0, 1001, 299.15 *Property Table, Type="ABQ_EChemPET_Electrolyte_Transference", Label="ABQ_EChemPET_PF6EthylCarb_Transference", Temperature ** 0.48, 1000, 298.15 0.48, 1001, 298.15 0.48, 1000, 299.15 0.48, 1001, 299.15 *Property Table, Type="ABQ_EChemPET_Electrolyte_DiffTabular", Label="ABQ_EChemPET_PF6EthylCarb_DiffTabular",temperature 1.6980E-10 , 502.32 , 0 , 263.15 1.2427E-10 , 746.974 , 0 , 263.15 8.9803E-11 , 1001.548 , 0 , 263.15 6.5508E-11 , 1248.766 , 0 , 263.15 4.7378E-11 , 1502.688 , 0 , 263.15 1.6980E-10 , 502.32 , 1 , 263.15 1.2427E-10 , 746.974 , 1 , 263.15 8.9803E-11 , 1001.548 , 1 , 263.15 6.5508E-11 , 1248.766 , 1 , 263.15 4.7378E-11 , 1502.688 , 1 , 263.15 2.1549E-10 , 502.32 , 0 , 273.15 1.5771E-10 , 746.974 , 0 , 273.15 1.1397E-10 , 1001.548 , 0 , 273.15 8.3134E-11 , 1248.766 , 0 , 273.15 6.0126E-11 , 1502.688 , 0 , 273.15 2.1549E-10 , 502.32 , 1 , 273.15 1.5771E-10 , 746.974 , 1 , 273.15 1.1397E-10 , 1001.548 , 1 , 273.15 8.3134E-11 , 1248.766 , 1 , 273.15 6.0126E-11 , 1502.688 , 1 , 273.15 2.6891E-10 , 502.32 , 0 , 283.15 1.9680E-10 , 746.974 , 0 , 283.15 1.4222E-10 , 1001.548 , 0 , 283.15 1.0374E-10 , 1248.766 , 0 , 283.15 7.5031E-11 , 1502.688 , 0 , 283.15 2.6891E-10 , 502.32 , 1 , 283.15 1.9680E-10 , 746.974 , 1 , 283.15 1.4222E-10 , 1001.548 , 1 , 283.15 1.0374E-10 , 1248.766 , 1 , 283.15 7.5031E-11 , 1502.688 , 1 , 283.15 3.6456E-10 , 502.32 , 0 , 298.15 2.6681E-10 , 746.974 , 0 , 298.15 1.9281E-10 , 1001.548 , 0 , 298.15 1.4064E-10 , 1248.766 , 0 , 298.15 1.0172E-10 , 1502.688 , 0 , 298.15 3.6456E-10 , 502.32 , 1 , 298.15 2.6681E-10 , 746.974 , 1 , 298.15 1.9281E-10 , 1001.548 , 1 , 298.15 1.4064E-10 , 1248.766 , 1 , 298.15 1.0172E-10 , 1502.688 , 1 , 298.15 4.8004E-10 , 502.32 , 0 , 313.15 3.5132E-10 , 746.974 , 0 , 313.15 2.5388E-10 , 1001.548 , 0 , 313.15 1.8519E-10 , 1248.766 , 0 , 313.15 1.3394E-10 , 1502.688 , 0 , 313.15 4.8004E-10 , 502.32 , 1 , 313.15 3.5132E-10 , 746.974 , 1 , 313.15 2.5388E-10 , 1001.548 , 1 , 313.15 1.8519E-10 , 1248.766 , 1 , 313.15 1.3394E-10 , 1502.688 , 1 , 313.15 5.4102E-10 , 502.32 , 0 , 320.15 3.9595E-10 , 746.974 , 0 , 320.15 2.8613E-10 , 1001.548 , 0 , 320.15 2.0872E-10 , 1248.766 , 0 , 320.15 1.5096E-10 , 1502.688 , 0 , 320.15 5.4102E-10 , 502.32 , 1 , 320.15 3.9595E-10 , 746.974 , 1 , 320.15 2.8613E-10 , 1001.548 , 1 , 320.15 2.0872E-10 , 1248.766 , 1 , 320.15 1.5096E-10 , 1502.688 , 1 , 320.15 5.8741E-10 , 502.32 , 0 , 325.15 4.2990E-10 , 746.974 , 0 , 325.15 3.1066E-10 , 1001.548 , 0 , 325.15 2.2662E-10 , 1248.766 , 0 , 325.15 1.6390E-10 , 1502.688 , 0 , 325.15 5.8741E-10 , 502.32 , 1 , 325.15 4.2990E-10 , 746.974 , 1 , 325.15 3.1066E-10 , 1001.548 , 1 , 325.15 2.2662E-10 , 1248.766 , 1 , 325.15 1.6390E-10 , 1502.688 , 1 , 325.15 6.8739E-10 , 502.32 , 0 , 335.15 5.0307E-10 , 746.974 , 0 , 335.15 3.6354E-10 , 1001.548 , 0 , 335.15 2.6519E-10 , 1248.766 , 0 , 335.15 1.9180E-10 , 1502.688 , 0 , 335.15 6.8739E-10 , 502.32 , 1 , 335.15 5.0307E-10 , 746.974 , 1 , 335.15 3.6354E-10 , 1001.548 , 1 , 335.15 2.6519E-10 , 1248.766 , 1 , 335.15 1.9180E-10 , 1502.688 , 1 , 335.15 ** ** ** *Parameter Table, Type="ABQ_EChemPET_Electrode_Definition", Label="ABQ_EChemPET_Electrode_Definition" "Separator_PF6", "Separator", 0.492, 0.508, 0.0, 0.0, 1.0, 0.0, 0.757, 0.757, 0.757, 1.0, 1.0 *Parameter Table, Type="ABQ_EChemPET_Electrode_PowerLoss", Label="ABQ_EChemPET_Separator_PF6_PowerLoss" ** Terms3, term4, term5 Kumaresan A10 1.0, 1.0, 1.0 ** 0.0, 1.0, 1.0 *Property Table, Type="ABQ_EChemPET_Electrode_ElecCond_Tabular", Label="ABQ_EChemPET_Separator_PF6_ElecCond_Tabular", Temperature *** , , -Ecker 2015b Table II 0., 0.0, 298.15, 0., 1.0, 298.15, 0., 0.0, 299.15, 0., 1.0, 299.15, *Porous Electrode Theory ** ************************** **Amplitude, name=CUTOFFDETECTION, definition=USER, variables=0, properties=1 ** 4.2 *Amplitude, name=ABQ_EChemPET_CUTOFFDETECTIONC, definition=USER, variables=0, properties=3 **-----LowerBound,-----UpperBound,--TimeToIgnore, , 4.2, ************************** *step , name=charge, inc = 250000000, unsymm=yes, nlgeom=yes ***Coupled thermal-ElectroChemical *Coupled temperature-displacement, electrochemical, pore pressure 5.0, 3800.0, , 10.0 ** *Controls, Parameters=Field, FIELD=PORE FLUID PRESSURE , , 1.0e-9 ** *amplitude, name=amp1 0, 1, 1,1 *boundary, op = new *boundary, op = new, amplitude=ABQ_EChemPET_CUTOFFDETECTIONC nAnodeStart, 9, 9, 0.0 nCathodeEnd, 1, 3, 0.0 nAnodeStart, 1, 3, 0.0 nCathodeEnd, 8, 8, 0.0 nAnodeStart, 8, 8, 0.0 *amplitude, name=rampcurr 0,-1.,10000,-1. *CECURRENT, op = new, amp=rampcurr nCathodeEnd, 9, -0.0390625 *Film, amplitude=amp1 EALL, ffs, 298.15, 0.10 *output,field,freq=5 *node output epot, epote, nnce, nt, recur, rfl,rfle recure, rflce u, RF, POR, RVF, RVT *element output hfl, mfle, ecde, conce, elecpote, elecpot, TEMP csurfavg, S, E, EEIG, FLUVR, FLVEL, *output,history *element output, elset =eoutput csurfavg, elecpot, elecpote, conce, temp *node output, nset=nAnodeStart RF, RVF, RVT *node output, nset=nCathodeEnd RF, RVF, RVT *output, history, freq=1, sensor, name=VOLTAGECUTOFF *node output, nset =nSensorPot ePot, *monitor, node=245, dof=9 *end step