Add METAB Integration Workflow Tutorial

watertap/flowsheets/METAB/Integration_Workflow_Tutorial/Results/alamo_surrogate.json

@@ -0,0 +1 @@
+{"surrogate": {"S_su": " S_su == 43.989350626853934045357 * inf_fr - 9.4706210126369274604485 * temp + 19.893669255685551888746 * hrt + 114.59817145755525302775 * ln(inf_fr) + 129.01061341366997226032 * ln(temp) - 37.008209572391699282434 * ln(hrt) - 0.56234520123311817867140E-003 * exp(inf_fr) - 0.15090473026542536424868E-004 * exp(hrt) + 3.0534771747869551283827 * sin(inf_fr) + 0.53360116351520965952138E-002 * sin(temp) + 0.20119079821944874097994 * sin(hrt) - 2.8232394802081119955517 * cos(inf_fr) + 0.89481058687089873315834E-001 * cos(temp) - 0.49695539002178712451041 * cos(hrt) - 10.636553297318570798780 * inf_fr**2 + 0.85847680887134125704563E-001 * temp**2 - 1.7623608887704267367269 * hrt**2 + 0.57907763786762767033167 * inf_fr**3 + 0.65304994980003444604577E-001 * hrt**3 - 441.75496539900063908135", "S_aa": " S_aa == 0.13714442596943801633280 * inf_fr - 135.72383659797793598045 * temp + 13.732598949914349262258 * hrt - 1.0623047600958894776113 * ln(inf_fr) + 1000.6504114752052601034 * ln(temp) - 17.876876829213433239829 * ln(hrt) - 0.15412104152236907518992E-005 * exp(inf_fr) + 0.17538847319267738563255E-004 * exp(hrt) + 0.26874226211971108391197E-001 * sin(inf_fr) + 0.14472941110267910705400E-002 * sin(temp) + 0.51724830814198201334175E-001 * sin(hrt) - 0.11132320929638842704756E-001 * cos(temp) + 0.14420535227943906408932 * cos(hrt) + 3.4193902660316477515323 * temp**2 - 2.1366866290412964701773 * hrt**2 - 0.50562367815806280590962E-001 * temp**3 + 0.18635288786798587246096 * hrt**3 + 0.31235465285666118599381E-003 * temp**4 - 0.63959704455392972499705E-002 * hrt**4 - 1300.2263021303028835973", "S_fa": " S_fa == 1559.1806044552085950272 * inf_fr - 46.795901166459707098966 * temp + 75.971473269450228826827 * hrt - 1662.4017806527695029217 * ln(inf_fr) + 632.41097896425310409541 * ln(temp) - 139.98632957596780101994 * ln(hrt) - 0.66415454376969156047306E-002 * exp(inf_fr) - 0.44402492373057262655626E-004 * exp(hrt) + 24.792877151820427172879 * sin(inf_fr) + 0.15606467241526139622110 * sin(temp) + 0.63977436389652542203521 * sin(hrt) - 23.872815042632264947997 * cos(inf_fr) + 0.46471590062560086398236 * cos(temp) - 2.1788375407648343795586 * cos(hrt) - 178.86489755735800599723 * inf_fr**2 + 0.42709604967837166977773 * temp**2 - 6.7682143165794297345883 * hrt**2 + 7.8638106959222886516159 * inf_fr**3 + 0.24847076609258272883451 * hrt**3 - 2724.4889666883996142133", "S_va": " S_va ==  - 238.75963003056648403799 * inf_fr + 0.21909618138162748057773 * temp + 28.084936385138039582898 * hrt + 938.66737557919259415939 * ln(inf_fr) - 6.6176901044917562089154 * ln(temp) - 31.362590244293659935693 * ln(hrt) - 0.24204778743322275837146E-002 * exp(inf_fr) + 0.51146987025564729463165E-004 * exp(hrt) + 10.710551105733154386712 * sin(inf_fr) + 0.10577392520277784093707 * sin(temp) + 0.65354630939215077600757E-001 * sin(hrt) - 0.16800438648556156873148 * cos(inf_fr) - 0.27226748460961420345017E-001 * cos(temp) + 0.63212911463789289712167 * cos(hrt) - 5.1056501489709322783028 * hrt**2 + 0.67571191436222444171023 * inf_fr**3 + 0.49733939555852357816690 * hrt**3 - 0.18330619039941858233744E-001 * hrt**4 - 0.15320630339846747977606E-001 * inf_fr*hrt - 385.37692183335855133919", "S_bu": " S_bu ==  - 393.43813405677417449624 * inf_fr + 0.36336038099818673829944 * temp + 39.715444847862649169201 * hrt + 1546.8044563449659563048 * ln(inf_fr) - 10.972966048600797606127 * ln(temp) - 42.811113654999985556060 * ln(hrt) - 0.39881090887985441370556E-002 * exp(inf_fr) + 0.81778857237897408958768E-004 * exp(hrt) + 17.648901916760063812717 * sin(inf_fr) + 0.17491607347355389578958 * sin(temp) + 0.61027735355419533702648E-001 * sin(hrt) - 0.27967976376423125950410 * cos(inf_fr) - 0.44095283295516395083435E-001 * cos(temp) + 1.0409535261798463778860 * cos(hrt) - 7.4848860327497428457377 * hrt**2 + 1.1134201064009345838457 * inf_fr**3 + 0.74792002211708386028022 * hrt**3 - 0.28041731933165031653843E-001 * hrt**4 - 0.25061389748309785552305E-001 * inf_fr*hrt - 633.02686206103453514515", "S_pro": " S_pro == 0.92414129737994799018708 * inf_fr + 242.29139145969520541257 * temp + 67.381943962401123826567 * hrt - 7.3236207148799179478260 * ln(inf_fr) - 1573.5627563241785082937 * ln(temp) - 76.449727343352961383971 * ln(hrt) + 0.26489882188287923042984E-006 * exp(inf_fr) + 0.10396732913876740450609E-003 * exp(hrt) + 0.21751197157378410196316 * sin(inf_fr) - 0.49267173198107867826412E-001 * sin(temp) + 0.16088355858205005688433 * sin(hrt) - 0.14519033819796264492274E-001 * cos(temp) + 0.95278481121746005921835 * cos(hrt) - 6.9301973542043002751711 * temp**2 - 11.154009619190503599384 * hrt**2 + 0.11642105679809136575820 * temp**3 + 1.0036787661808892480053 * hrt**3 - 0.81791135904564439464831E-003 * temp**4 - 0.35140809166877146063612E-001 * hrt**4 + 1813.0207352651802921173", "S_ac": " S_ac ==  - 351.34615225401586258158 * inf_fr - 16.386841409791760071357 * temp + 40.114727055090448004648 * hrt + 999.91962900115072443441 * ln(inf_fr) + 221.04770325765480265545 * ln(temp) - 83.206587855651278573532 * ln(hrt) - 0.36166090318903026945563E-003 * exp(inf_fr) - 0.24341144370605435849403E-004 * exp(hrt) + 4.5674555634070808096681 * sin(inf_fr) + 0.59397330875141991779476E-001 * sin(temp) + 0.32555592704949876114995 * sin(hrt) - 1.7374715378524674402883 * cos(inf_fr) + 0.16226895624130910356087 * cos(temp) - 0.96754678701705032484170 * cos(hrt) + 17.849041195338820386951 * inf_fr**2 + 0.15061858567597968816543 * temp**2 - 3.4327846124303817987311 * hrt**2 - 0.30857911849460478714846 * inf_fr**3 + 0.12479648286301550652588 * hrt**3 - 630.34586821350069385517", "S_h2": " S_h2 == 0.15749659816902817777303E-005 * inf_fr + 0.46967237057588876705978E-004 * hrt - 0.16553604010721425729164E-004 * ln(inf_fr) - 0.15066754693432297170647E-003 * ln(hrt) + 0.15672122281106490841246E-009 * exp(inf_fr) + 0.11076380140348380468418E-009 * exp(hrt) + 0.12246187536975384542475E-005 * sin(inf_fr) + 0.71568600104402763179760E-006 * sin(temp) - 0.22144207003365855324659E-005 * sin(hrt) - 0.27310083873804061163398E-006 * cos(temp) - 0.35358089240649590254828E-006 * cos(hrt) - 0.18915872856491405977134E-005 * hrt**2 + 0.92337498618873465119905E-004", "S_ch4": " S_ch4 ==  - 181.42206739438358908956 * inf_fr - 1.3027796947739358479623 * temp + 98.207388370039737424122 * hrt + 565.44779962464008349343 * ln(inf_fr) + 15.314912025942073015017 * ln(temp) - 98.737296286269739198360 * ln(hrt) - 0.54777805404311835472952E-003 * exp(inf_fr) + 0.85981337538192575487353E-004 * exp(hrt) + 3.3143162664400040995361 * sin(inf_fr) - 0.32630423376021855386142 * sin(temp) + 0.91728868517333339571707 * sin(hrt) - 1.0836597147248858696855 * cos(inf_fr) - 0.65435870141167751246059E-001 * cos(temp) + 1.5142725700406785005470 * cos(hrt) + 6.9560594163605529161032 * inf_fr**2 - 16.617623116022045337559 * hrt**2 + 1.4754849347322298580565 * hrt**3 - 0.50013686493066693283804E-001 * hrt**4 + 0.16117897258389177195248E-001 * inf_fr*temp - 218.85616946970642970882", "S_IC": " S_IC == 22.305731924047851322257 * ln(hrt) - 0.39449593251201932331274E-001 * temp**2 + 531.70193036622333693231", "S_IN": " S_IN == 0.52369457480208082833517E-001 * temp - 8.5251999464889980373528 * hrt - 2.5278951112002632228837 * ln(temp) + 18.206646209400837221892 * ln(hrt) - 0.94481784580889401683199E-005 * exp(inf_fr) + 0.15594218736226925963242E-004 * exp(hrt) + 0.61846930153033961852227E-001 * sin(temp) - 0.75717540584660449239085E-003 * sin(hrt) + 0.70846977928518309330919E-001 * cos(inf_fr) + 0.90593082611872877141224E-001 * cos(hrt) + 0.97463454035402952158051 * hrt**2 - 0.38960982637592088406731E-001 * hrt**3 + 0.47227308496604333896800E-004 * inf_fr**4 + 0.42350232707606301485459E-002 * temp*hrt + 195.99788783009981329997", "S_I": " S_I == 1626.2305567689497820538 * inf_fr + 93.451565897939445903830 * temp + 140.88278279806769432980 * hrt - 5207.9513545655354391783 * ln(inf_fr) - 1273.6766250777020559326 * ln(temp) - 75.492536436905865571134 * ln(hrt) + 0.39138957926615185883845E-002 * exp(inf_fr) + 0.45482642478656044480664E-003 * exp(hrt) - 30.561641389406535296303 * sin(inf_fr) - 0.12146519761709131945970 * sin(temp) - 0.19016742457960014722751 * sin(hrt) + 13.334095051967070233445 * cos(inf_fr) - 0.81121788736130884256426 * cos(temp) + 6.9909567375698724589483 * cos(hrt) - 61.119399155929670541809 * inf_fr**2 - 0.84634165633364755176871 * temp**2 - 31.183649576664240754553 * hrt**2 + 3.3514052160734988383695 * hrt**3 - 0.13100671609815492391071 * hrt**4 + 3967.2440858687273248506", "X_c": " X_c ==  - 24.187165013260869983469 * ln(hrt) + 0.14350379638302882684409E-001 * hrt**2 + 94.445634377927760283455", "X_ch": " X_ch == 136.69923698141241175108 * inf_fr - 9.7553489925090186574153 * temp + 17.819961510806049176381 * hrt - 30.032062018769220657077 * ln(inf_fr) + 132.44458272450603431025 * ln(temp) - 34.791687470643807955639 * ln(hrt) - 0.85899023964482591579628E-003 * exp(inf_fr) - 0.11629490433456603825442E-004 * exp(hrt) + 3.8879053499562559181868 * sin(inf_fr) + 0.15320531850147742214396E-001 * sin(temp) + 0.17978535569652270842411 * sin(hrt) - 3.6117753825979215243080 * cos(inf_fr) + 0.94692985632030726717012E-001 * cos(temp) - 0.46618521487329322994242 * cos(hrt) - 19.705952993040700249594 * inf_fr**2 + 0.88689538010323448746774E-001 * temp**2 - 1.5439185986916279524905 * hrt**2 + 0.94720153918359994982268 * inf_fr**3 + 0.56470544537624470238235E-001 * hrt**3 - 493.88200295122442184947", "X_pr": " X_pr == 233.15581710389218983437 * inf_fr - 16.422792184502842616212 * temp + 29.779701276737114312709 * hrt - 56.059966505410471881987 * ln(inf_fr) + 222.96431059822825204719 * ln(temp) - 57.946119778830635027589 * ln(hrt) - 0.14515745988540611384476E-002 * exp(inf_fr) - 0.19385896349948923770559E-004 * exp(hrt) + 6.5557296992688369741131 * sin(inf_fr) + 0.25773906483938888167806E-001 * sin(temp) + 0.30145592116031461049630 * sin(hrt) - 6.1026703449714592153441 * cos(inf_fr) + 0.15951461275444342446939 * cos(temp) - 0.78211896072746467378778 * cos(hrt) - 33.438910797856401302397 * inf_fr**2 + 0.14930653626219955731891 * temp**2 - 2.5809874187204222550918 * hrt**2 + 1.6044241763747251194872 * inf_fr**3 + 0.94411936966882367694431E-001 * hrt**3 - 832.99647149039185478614", "X_li": " X_li == 108.59406354158309682134 * inf_fr - 7.9655735801663061224076 * temp + 14.770206867292376529122 * hrt - 19.024315967975134356038 * ln(inf_fr) + 108.14705947883356884631 * ln(temp) - 29.033105000932433625849 * ln(hrt) - 0.69589939724356349604745E-003 * exp(inf_fr) - 0.96878269023148694505084E-005 * exp(hrt) + 3.1640200514393255204482 * sin(inf_fr) + 0.12527220546006545900952E-001 * sin(temp) + 0.14800738036345575943109 * sin(hrt) - 2.9267776977667154802987 * cos(inf_fr) + 0.77217830284321262168667E-001 * cos(temp) - 0.38334397816443421813659 * cos(hrt) - 15.826091924063790727928 * inf_fr**2 + 0.72417245307942523790956E-001 * temp**2 - 1.2788094696256104843002 * hrt**2 + 0.76358298401935709165400 * inf_fr**3 + 0.46764437461941629758932E-001 * hrt**3 - 401.70810487635316121668", "X_su": " X_su ==  - 3.4175275425960158770522 * inf_fr + 24308.079861456670187181 * temp - 114.34369079851072115162 * hrt + 20.597343060023103333833 * ln(inf_fr) - 172779.26675649441312999 * ln(temp) + 109.07306806782986541293 * ln(hrt) - 0.57842389139992493097588E-004 * exp(inf_fr) - 0.29137957536630137951117E-004 * exp(hrt) - 0.74758148626789899804379 * sin(temp) + 0.63178531970223261726716 * sin(hrt) + 1.3808704296327796168242 * cos(temp) - 2.6324250429640958515165 * cos(hrt) - 637.34080818121572065138 * temp**2 + 16.142259700893092144725 * hrt**2 + 9.8425253121889575425030 * temp**3 - 1.4120403232508009772062 * hrt**3 - 0.63736468016548697423929E-001 * temp**4 + 0.48338337060597549865726E-001 * hrt**4 + 0.15249873631590524225565 * inf_fr*hrt + 218453.07148567616241053", "X_aa": " X_aa ==  - 3.6596608469330589308299 * hrt + 8.3308663441574086760966 * ln(hrt) + 0.46651083570803065101655E-005 * exp(hrt) + 0.46748793581645527173141E-001 * sin(inf_fr) - 0.11962922384010273024746 * sin(hrt) + 0.18336189513350198421193 * cos(hrt) + 113.01097788511852115789", "X_fa": " X_fa ==  - 0.50296537422405713374518E-002 * inf_fr + 9.1069683879949128169073 * hrt - 7.7527990787920950666035 * ln(hrt) + 0.10433159058352160555839E-004 * exp(hrt) + 0.37033146492844979964093E-003 * sin(temp) + 0.20512214699684897661891E-001 * sin(hrt) + 0.10815006138291358150916 * cos(hrt) - 1.4884649584152804813186 * hrt**2 + 0.12247825535044916389626 * hrt**3 - 0.40022665478789036866414E-002 * hrt**4 + 3.5262132047427376946303", "X_c4": " X_c4 == 1.8655041049228435756646 * inf_fr + 49.972153542556803529351 * hrt - 11.990745071633412521805 * ln(inf_fr) - 82.871765910635275531604 * ln(hrt) + 0.21256449359348926226448E-003 * exp(hrt) + 1.3090008585554249176397 * sin(temp) - 5.6205975915169901213631 * sin(hrt) - 2.7169572363843972340192 * hrt**2 + 45.418477599619585305391", "X_pro": " X_pro == 4.2969959736920291248907 * hrt - 18.835009046739180860186 * ln(hrt) - 0.55412836883755095995687E-004 * exp(hrt) - 0.75873352000943339312755 * sin(inf_fr) + 42.888557836643379062025", "X_ac": " X_ac ==  - 2.1574180882568705364122 * hrt - 82.116401600265817251056 * ln(hrt) - 0.86737349181914358275947 * sin(temp) + 0.73138883037267043984997 * sin(hrt) + 0.10828113449655358841578E-002 * hrt**4 + 217.26003642620835876187", "X_h2": " X_h2 ==  - 1.9784310379931790979668 * ln(inf_fr) - 4.1897296247780433375851 * ln(hrt) - 0.29959942076878057887722E-004 * exp(hrt) + 98.926298342057265244875", "X_I": " X_I == 0.19785024197585146521483 * inf_fr - 22.651439953297249019215 * hrt - 2.2201672569057802064663 * ln(inf_fr) + 54.343071868360333098735 * ln(hrt) + 0.87826412551589918024583E-004 * exp(hrt) - 0.10201394237710886825354 * sin(temp) - 0.92491947203041369185428 * sin(hrt) + 0.67584252424231369693608E-001 * cos(temp) + 1.7972220347577076982049 * cos(hrt) + 2.4736644504545637346382 * hrt**2 - 0.12076605506068814610554 * hrt**3 + 88.399688998477344625826", "VolumetricFlowrate": " VolumetricFlowrate == 0.99295348907520530890025 * inf_fr - 0.65532134561973303527038E-002 * temp + 0.28173577317473250808399E-001 * ln(temp) + 0.85568212510927438603515E-008 * exp(inf_fr) + 0.70541137330179072782229E-009 * exp(hrt) + 0.45718667223351061357261E-005 * cos(hrt) + 0.14431096834221506680120E-003 * temp**2 - 0.10869206695940151393825E-005 * temp**3 + 0.28992836287517078199330E-003 * inf_fr*temp"}, "input_labels": ["inf_fr", "temp", "hrt"], "output_labels": ["S_su", "S_aa", "S_fa", "S_va", "S_bu", "S_pro", "S_ac", "S_h2", "S_ch4", "S_IC", "S_IN", "S_I", "X_c", "X_ch", "X_pr", "X_li", "X_su", "X_aa", "X_fa", "X_c4", "X_pro", "X_ac", "X_h2", "X_I", "VolumetricFlowrate"], "input_bounds": {"inf_fr": [5.16, 9.87], "temp": [22.25, 34.67], "hrt": [1.18, 11.82]}}

watertap/flowsheets/METAB/Integration_Workflow_Tutorial/Results/input_data.csv

@@ -0,0 +1,21 @@
+inf_fr,temp,hrt
+9.62,24.21,9.97
+7.6,29.05,9.24
+9.06,27.98,3.67
+6.71,27.84,4.3
+5.36,27.03,11.82
+7.09,24.66,6.14
+6.31,30.7,9.3
+5.55,31.95,7.72
+7.79,31.75,11.08
+9.87,32.81,2.91
+6.06,22.9,4.9
+8.25,29.43,2.38
+9.41,33.07,4.37
+5.94,34.29,7.05
+5.16,25.28,8.6
+6.99,34.67,5.63
+8.78,26.17,10.5
+8.25,22.25,1.18
+7.34,23.58,6.97
+8.52,30.11,1.71

watertap/flowsheets/METAB/Integration_Workflow_Tutorial/Results/kri_metircs.csv

@@ -0,0 +1,26 @@
+Comp,R2,RMSE
+S_su,0.9999995712642091,0.0019041696866005046
+S_aa,0.9999993513188298,0.0011055579033206777
+S_fa,0.9999995278696008,0.007787287145601142
+S_va,0.999999085595554,0.0025501563244446244
+S_bu,0.9999977052258839,0.005604465010192428
+S_pro,0.9999999105059814,0.0012665764838757235
+S_ac,0.9999992496136992,0.008084756292153177
+S_h2,0.9999999740633578,3.4913255480625317e-09
+S_ch4,0.9995494967350704,0.08604317980714032
+S_IC,0.9961668504534889,1.0053509353402847
+S_IN,0.999998681007865,0.00795175378682401
+S_I,0.9999998783747944,0.004778665242190732
+X_c,0.9999998846578357,0.005007534282520175
+X_ch,0.999999386421046,0.0024563271121001867
+X_pr,0.9999993956374386,0.003996613798271394
+X_li,0.9999993709252591,0.0021407914564383493
+X_su,0.9999909957315419,0.11252143901960436
+X_aa,0.9994580291494732,0.15446331423059184
+X_fa,0.9999578780265157,0.004899449179929489
+X_c4,0.9999999999725458,4.2895249820468174e-05
+X_pro,0.9999999993352043,8.197641354313293e-05
+X_ac,0.9999998668433087,0.01981724242727871
+X_h2,0.9999999985782118,0.00012103680338978673
+X_I,0.9999999888097314,0.0012511806389759379
+VolumetricFlowrate,0.9999998950715497,0.00046420612019466617