{"text_format":"1","workbook":"xlsx","n_sheets":9,"sheets":["Cover","Pollutants_palette","Kinetics-AMINE","c_calculation","Data_table1","Data_table2","FileCheckBgd","FileCheckMop","Backend"],"not_rendered":{"charts":1,"images":1,"macros":1,"external_links":0,"defined_names":65,"comments":0,"pivot_tables":0},"unopened":[],"bounds":{"document_bytes":16777216,"sheet_cells":100000,"rows_first":2000,"rows_last":500,"rows_between":2000,"halvings":0,"cell_chars":16384,"cell_head_chars":4096},"cells_cut":0,"cells_raw":0,"read":"whole","date_system":"1900"}

{"sheet":"Cover","index":0,"n_rows":18,"n_cols":8,"rows_kept":18,"cut":false,"hidden":false,"merged":[[6,4,6,5],[1,7,21,10],[12,4,12,5],[15,4,15,5],[9,4,9,5],[17,4,17,5]]}
[]
[null,null,null,null,null,null,null,"\nSUMMARY OF TOOL\n\nThe User Input Tool generates amine chemistry parameters for use with the ADMS amine chemistry module, including µg/m³ to ppb conversion factors, reaction rates constants and the constant for OH concentration calculations. \n\nInput data needed for the calculations are indicated by orange flag cells and output data for use in the ADMS interface are indicated by green cells. Some values can be calculated automatically so inputs are optional, indicated by blue flag cells, inputting values will overwrite the calculation. Intermediate calculated values are indicated by orange text on grey cells and non-editable text/constants used in calculations are indicated by grey cells. A key is provided on each sheet. \n\nSheet 1 \"Pollutants_palette\" calculates conversion factors for the amine-related species. Copies of this sheet can be generated corresponding to multiple amine inputs.  \n\nSheet 2  \"Kinetics-AMINE\" converts reaction constants to appropriate units. Copies of this sheet can be generated corresponding to multiple amine inputs.  \n\nSheet 3 \"c_calculation\" calculates the constant for OH concentration calculations,c, which is derived from hourly ozone (O3) concentrations (from input ADMS background file, .bgd) and corresponding hourly solar irradiation K (from input ADMS processed meteorological data file, .mop).  \n\nSheet 4 \"Data_table1\" displays the calculation information derived from the input files and should not be changed.\n\nSheet 5 \"Data_table2\" displays the calculation information derived from the input files and should not be changed. Output data is plotted on a scatter graph.\n\nFor further information on how to use the Tool and background on the calculations performed, refer to the tool User Guide \"ADMS Amine Chemistry User Input Tool User Guide.pdf\" and the CERC ADMS amine module User Guide \"Amine chemistry supplement.pdf\", respectively."]
[null,"User Input Tool:"]
[]
[]
[]
[null,"TOOL",null,null,"Amine Chemistry User Input Tool"]
[]
[]
[null,"DESCRIPTION OF THE SPREADSHEET ",null,null,"Tool for pre-calculating ADMS amine chemistry option input parameters"]
[]
[]
[null,"RELEASE DATE",null,null,"2024-02-05"]
[]
[]
[null,"VERSION",null,null,1.1000000000000001]
[]
[null,"SVN REVISION NO."]

{"sheet":"Pollutants_palette","index":1,"n_rows":19,"n_cols":11,"rows_kept":19,"cut":false,"hidden":false,"merged":[[4,9,4,10],[5,9,5,10],[10,3,10,4],[2,1,3,7],[4,1,6,7]]}
[]
[null,"User Input Tool:",null,null,null,null,null,null,null,"Key"]
[null,"Molecular mass unit conversions",null,null,null,null,null,null,null,null,"Value required"]
[null,null,null,null,null,null,null,null,null,null,"Value optional"]
[null,"Input relative molecular mass of amine-related species. Output is conversion factor from \nµg.m-3 to ppb to be entered in the ADMS Pollutant Palette. \nNote that the values in the 'Relative molecular mass calculated from amine' column should only be used for primary and secondary amines. For tertiary amines, the molecular mass of the resulting nitramine, nitrosamine and amino radical should be determined and entered manually.\nNote: mass of the simplest amine provides a lower bound for amine and hence the other amine-related species.",null,null,null,null,null,null,null,"Calculation"]
[null,null,null,null,null,null,null,null,null,"Calculation output"]
[]
[]
[]
[]
[null,null,"Amine-related species","Relative molecular mass INPUT",null,"Relative molecular mass calculated from amine","Conversion factor µg.m-3 to ppb "]
[null,null,"Amine",null,null,{"$f":"IF(OR(NOT(ISNUMBER(M_amine)),(ISBLANK(M_amine))),\"\",IF(SIGN(M_amine)=-1,\"\",M_amine))","v":""},{"$f":"IF(\nISBLANK(M_amine),\"\",\nIF(\nNOT(ISNUMBER(M_amine)),\"Input value error\", IF(SIGN(M_amine)=-1,\"Input value error\",\nIF(\nM_amine>M_methylamine-1,ROUND(((V_const)/M_amine),3),\"M(amine) < M(simplest_amine)\"))))","v":""}]
[null,null,"Nitramine",null,null,{"$f":"IF(OR(NOT(ISNUMBER(M_amine)),ISBLANK(M_amine)),\"\",IF(SIGN(M_amine)=-1,\"\",M_amine+45))","v":""},{"$f":"\nIF(\nOR(AND(OR(G12=\"Mass is too small\",G12=\"Input value error\"),ISBLANK(M_nitramine)),AND(ISBLANK(M_nitramine),ISBLANK(M_amine))),\"\",\nIF(\nAND(NOT(ISBLANK(M_nitramine)),NOT(ISNUMBER(M_nitramine))),\"Input value error\",IF(SIGN(M_nitramine)=-1,\"Input value error\",\nIF(\nISBLANK(M_nitramine),ROUND((V_const/M_nitramine_calc),3),\nIF(\nM_nitramine>(M_methylamine+45),ROUND((V_const/M_nitramine),3),\"M(nitramine) < M(simplest_amine) + NO2\")))))","v":""}]
[null,null,"Nitrosamine",null,null,{"$f":"IF(OR(NOT(ISNUMBER(M_amine)),ISBLANK(M_amine)),\"\",IF(SIGN(M_amine)=-1,\"\",M_amine+29))","v":""},{"$f":"IF(\nOR(AND(OR(G12=\"Mass is too small\",G12=\"Input value error\"),ISBLANK(M_nitrosamine)),AND(ISBLANK(M_nitrosamine),ISBLANK(M_amine))),\"\",\nIF(\nAND(NOT(ISNUMBER(M_nitrosamine)),NOT(ISBLANK(M_nitrosamine))),\"Input value error\",\nIF(\nSIGN(M_nitrosamine)=-1,\"Input value error\",\nIF(\nISBLANK(M_nitrosamine),ROUND((V_const/M_nitrosamine_calc),3),\nIF(\nM_nitrosamine>(M_methylamine+29),ROUND((V_const/M_nitrosamine),3),\"M(nitrosamine) < M(simplest_amine) + NO\")\n))))","v":""}]
[null,null,"Radical",null,null,{"$f":"IF(OR(NOT(ISNUMBER(M_amine)),ISBLANK(M_amine)),\"\",IF(SIGN(M_amine)=-1,\"\",M_amine-1))","v":""},{"$f":"IF(\nOR(AND(OR(G12=\"Mass is too small\",G12=\"Input value error\"),ISBLANK(M_radical)),AND(ISBLANK(M_radical),ISBLANK(M_amine))),\"\",\nIF(\nAND(NOT(ISNUMBER(M_radical)),NOT(ISBLANK(M_radical))),\"Input value error\",\nIF(\nSIGN(M_radical)=-1,\"Input value error\",\nIF(\nISBLANK(M_radical),ROUND((V_const/M_radical_calc),3),\nIF(\nM_radical>(M_methylamine-1),ROUND((V_const/M_radical),3),\"M(radical) < M(simplest_amine) - H\")))))","v":""}]
[]
[]
[null,null,"Constants"]
[null,null,"Molar volume at   293.15 K and 101.3 kPa (L)",null,24.06,"Relative molecular mass simplest amine (CH3NH2)",31]

{"sheet":"Kinetics-AMINE","index":2,"n_rows":21,"n_cols":14,"rows_kept":21,"cut":false,"hidden":false,"merged":[[14,11,14,12],[10,4,10,5],[4,11,4,12],[5,11,5,12],[2,1,3,9],[4,1,6,9]]}
[]
[null,"User Input Tool:",null,null,null,null,null,null,null,null,null,"Key"]
[null,"Kinetics unit conversions",null,null,null,null,null,null,null,null,null,null,"Value required"]
[null,null,null,null,null,null,null,null,null,null,null,null,"Value optional"]
[null,"\nInput amine chemistry parameters in cm3.molecule-1.s -1, requires input of two out of three of k4, k4a and k4b (k4 = k4a + k4b). \nOutput is parameters converted to ppb-1.s-1 to be entered in the Amine Species Screen of the ADMS Additional Input file editor. ",null,null,null,null,null,null,null,null,null,"Calculation"]
[null,null,null,null,null,null,null,null,null,null,null,"Calculation output"]
[]
[]
[]
[]
[null,null,"Amine chemistry parameters","Symbol","INPUT",null,"Input Units","Output","Output Units"]
[null,null,"Amine/OH reaction rate ","k1",null,null,"cm3.molecule-1.s-1",{"$f":"IF(\nISBLANK(k1_),\"\",\nIF(\nNOT(ISNUMBER(k1_)),\"Input value error\",IF(SIGN(k1_)=-1,\"Input value error\",\nk1_*conversion_factor)))","v":""},"ppb-1.s-1"]
[null,null,"Amino radical/O2 reaction rate","k2",null,null,"cm3.molecule-1.s-1",{"$f":"IF(\nISBLANK(k2_),\"\",\nIF(\nNOT(ISNUMBER(k2_)),\"Input value error\",IF(SIGN(k2_)=-1,\"Input value error\",\nk2_*conversion_factor)))","v":""},"ppb-1.s-1"]
[null,null,"Rate of formation of nitrosamine","k3",null,null,"cm3.molecule-1.s-1",{"$f":"IF(\nISBLANK(k3_),\"\",\nIF(\nNOT(ISNUMBER(k3_)),\"Input value error\",IF(SIGN(k3_)=-1,\"Input value error\",\nk3_*conversion_factor)))","v":""},"ppb-1.s-1",null,"Other parameters:"]
[null,null,"Rate of formation of nitramine","k4a",null,null,"cm3.molecule-1.s-1",{"$f":"\nIF(\nOR(AND(NOT(ISNUMBER(k4_)),NOT(ISBLANK(k4_))),AND(NOT(ISNUMBER(k4a_)),NOT(ISBLANK(k4a_))),AND(NOT(ISNUMBER(k4b_)),NOT(ISBLANK(k4b_)))),\"Input value error\",\nIF(\nOR(SIGN(k4_)=-1,SIGN(k4a_)=-1,SIGN(k4b_)=-1),\"Input value error\",\nIF(\nAND(NOT(ISBLANK(k4a_)),NOT(ISBLANK(k4b_)),NOT(ISBLANK(k4_))),\nIF(\nNOT(k4_=k4a_+k4b_),\"k4 != k4a + k4b\",k4a_),\nIF(\nAND(NOT(ISBLANK(k4b_)),NOT(ISBLANK(k4_)),ISBLANK(k4a_)),\nIF(\nSIGN(k4_-k4b_)=-1,\"Input value error\",(k4_-k4b_)*conversion_factor),\nIF(\nISBLANK(k4a_),\"\",k4a_*conversion_factor)))))","v":""},"ppb-1.s-1",null,"Symbol","INPUT",null,"Input Units"]
[null,null,"Amino radical/NO2 reaction rate ","k4",null,null,"cm3.molecule-1.s-1",{"$f":"IF(\nOR(AND(NOT(ISNUMBER(k4_)),NOT(ISBLANK(k4_))),AND(NOT(ISNUMBER(k4a_)),NOT(ISBLANK(k4a_))),AND(NOT(ISNUMBER(k4b_)),NOT(ISBLANK(k4b_)))),\"Input value error\",\nIF(\nOR(SIGN(k4_)=-1,SIGN(k4a_)=-1,SIGN(k4b_)=-1),\"Input value error\",\nIF(\nAND(NOT(ISBLANK(k4a_)),NOT(ISBLANK(k4b_)),NOT(ISBLANK(k4_))),\nIF(\nNOT(k4_=k4a_+k4b_),\"k4 != k4a + k4b\",k4_),\nIF(\nAND(NOT(ISBLANK(k4a_)),NOT(ISBLANK(k4b_)),ISBLANK(k4_)),\nIF(\nSIGN(k4_-k4b_)=-1,\"Input value error\",(k4_-k4b_)*conversion_factor),\nIF(ISBLANK(k4_),\"\",k4_*conversion_factor)))))","v":""},"ppb-1.s-1",null,"k4b",null,null,"cm3.molecule-1.s-1"]
[null,null,"Branching ratio for amine/OH","Branching",null,null,"dimensionless",{"$f":"IF(ISBLANK(F17),\"\",\nIF(\nNOT(ISNUMBER(branching)),\"Input value error\",IF(SIGN(branching)=-1,\"Input value error\",\nROUND(branching,3))))","v":""},"dimensionless"]
[null,null,"Ratio of J(nitrosamine) to J(NO2)","J5/JNO2",null,null,"dimensionless",{"$f":"IF(ISBLANK(F18),\"\",\nIF(\nNOT(ISNUMBER(ratio)),\"Input value error\",IF(SIGN(ratio)=-1,\"Input value error\",\nROUND(ratio,3))))","v":""},"dimensionless"]
[]
[null,null,"Constants"]
[null,null,"Units conversion factor ",{"$f":"2.5*10^10","v":25000000000}]

{"sheet":"c_calculation","index":3,"n_rows":25,"n_cols":15,"rows_kept":25,"cut":false,"hidden":false,"merged":[[2,1,3,11],[12,8,12,9],[13,8,13,9],[14,8,14,9],[4,13,4,14],[5,13,5,14],[4,1,6,11]]}
[]
[null,"User Input Tool:",null,null,null,null,null,null,null,null,null,null,null,"Key"]
[null,"Calculation of constant for OH concentration calculations",null,null,null,null,null,null,null,null,null,null,null,null,"Value required"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Value optional"]
[null,"Inputs: browse or input file paths to .bgd and .mop files. Enter annual average [OH] value and select units. Press calculate button when ready, this will populate sheet \"Data_table1\".\nOutputs: Data from overlapping valid hours for K and O3 are selected, giving start and end date and total number of hours. From this overlapping data, hourly J(NO2) is calculated. Hourly O3×J(NO2) is then calculated. Average O3×J(NO2) is calculated and with the OH value, the constant c  is calculated, to be entered in the Amine Chemistry Screen of the ADMS Additional Input file editor. \nFrom the constant c, predicted hourly OH can be calculated, this is output in sheet \"Data_table2\".\n",null,null,null,null,null,null,null,null,null,null,null,"Calculation"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,"Calculation output"]
[]
[]
[]
[]
[null,"Inputs",null,null,null,null,null,"Outputs"]
[]
[null,null,".bgd path:",null,null," ",null,null,"Start date",null,{"$f":"IF(ISBLANK(Start_date[TYEAR]),\"\",DATE(Start_date[TYEAR],1,Start_date[TDAY])+TIME(Start_date[THOUR],0,0))","v":""}]
[null,null,".mop path:",null,null," ",null,null,"End date",null,{"$f":"IF(ISBLANK(End_date[TYEAR]),\"\",DATE(End_date[TYEAR],1,End_date[TDAY])+TIME(End_date[THOUR],0,0))","v":""}]
[null,null,null,null,{"$f":"IF(\nISBLANK(OH_),\"\",\nIF(\nNOT(ISNUMBER(OH_)),\"[OH]: Input value error\",\nIF(SIGN(OH_)=-1,\"[OH]: Input value error\",\"\")))","v":""},null,null,null,"Num hours included",null,{"$f":"IF(Hours_recorded[Hours_recorded]=0,\"\",Hours_recorded[Hours_recorded])","v":""}]
[null,null,"[OH] value:"]
[null,null,"[OH] units:",null,"molecules.cm-3",null,null,null,"Parameter","Symbol"]
[null,null,null,null,null,null,null,null,"Average of ozone concentration (ppb) × photochemical rate constant for NO2 photolysis","O3 × J(NO2) \n(ppb.s-1)",{"$f":"IF(ISBLANK(O3_JNO2_average[O3*JNO2_average]),\"\",O3_JNO2_average[O3*JNO2_average])","v":""}]
[null,null,null,null,null,null,null,null,"Constant for OH concentration calculations","c (s)",{"$f":"IF(\nOR(O3_ppb_JNO2_=\"\",E15=\"[OH]: Input value error\"),\"\",\nIF(O3_ppb_JNO2_=0,\"No daytime hours\",\nIF(OH_units=\"ppb\",OH_/O3_JNO2_average[O3*JNO2_average],\nIF(OH_units=\"µg.m-3\",((OH_*V_const_)/M_OH)/O3_JNO2_average[O3*JNO2_average],\n(OH_/conversion_factor)/O3_JNO2_average[O3*JNO2_average]))))","v":""}]
[]
[]
[null,null,null,null,null,null,null,null,"Constants"]
[null,null,null,null,null,null,null,null,"J(NO2) constant 1",8.0000000000000004E-4,"J(NO2) constant 2",7.4000000000000003E-6]
[null,null,null,null,null,null,null,null,"Conversion factor ",{"$f":"conversion_factor","v":25000000000},"Relative molecular mass OH ",17]
[null,null,null,null,null,null,null,null,"Molar volume at  293.15 K and 101.3 kPa (L)",24.06]

{"sheet":"Data_table1","index":4,"n_rows":14,"n_cols":28,"rows_kept":14,"cut":false,"hidden":false,"merged":[[5,1,6,23],[2,1,4,23],[4,26,4,27],[5,26,5,27]]}
[]
[null,"User Input Tools:",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Key"]
[null,"K and O3 output data",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Value required"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Value optional"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Calculation"]
[null,"This sheet displays output tables generated from the .bgd and .mop files. The first table is all hours for which there is valid data for both K and O3, O3 is converted to ppb if necessary. From these, J(NO2) is calculated. Finally, hourly O3 x J(NO2) and average O3 x J(NO2) are calculated. \nThe start, end and total number of hours of valid data used are also calculated. ",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Calculation output"]
[]
[]
["  "]
[null,"OUTPUT DATA"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Constants"]
[null,"All hours of valid data for K and O3",null,null,null,null,null,null,null,null,null,"Average O3 (ppb) × J(NO2)",null,"Time data",null,null,null,null,null,null,null,null,null,null,"O3 relative molecular mass",48]
[null,null,null,null,null,null,null,null,null,null,null,null,null,"Start time:",null,null,null,"End time:",null,null,null,"Number of hrs of data:"]
[null,"TYEAR","TDAY","THOUR","K","O3","O3_units","O3_ppb","J(NO2)","O3_ppb*J(NO2)",null,"O3*JNO2_average",null,"TYEAR","TDAY","THOUR",null,"TYEAR","TDAY","THOUR",null,"Hours_recorded"]

{"sheet":"Data_table2","index":5,"n_rows":11,"n_cols":13,"rows_kept":11,"cut":false,"hidden":false,"merged":[[3,1,5,9],[6,1,6,9],[5,11,5,12],[4,11,4,12]]}
[]
[null,null,null,null,null,null,null,null,null,null,null,"Key"]
[null,"User Input Tools:",null,null,null,null,null,null,null,null,null,null,"Value required"]
[null,"OH output data",null,null,null,null,null,null,null,null,null,null,"Value optional"]
[null,null,null,null,null,null,null,null,null,null,null,"Calculation"]
[null,null,null,null,null,null,null,null,null,null,null,"Calculation output"]
[null,"This sheet displays hourly OH values calculated from the constant c cwhich was calculated in  sheet c_calculation."]
[]
[]
["  "]
[null,"TYEAR","TDAY","THOUR","O3_ppb","OH_calc"]

{"sheet":"FileCheckBgd","index":6,"n_rows":1,"n_cols":4,"rows_kept":1,"cut":false,"hidden":true,"merged":[]}
[2019,1,1,-999]

{"sheet":"FileCheckMop","index":7,"n_rows":3,"n_cols":57,"rows_kept":3,"cut":false,"hidden":true,"merged":[]}
["LINE","RUN","FR","INPUT_DATA:","TYEAR","TDAY","THOUR","U","UGSTAR","PHI","DELTAPHI","FTHETA0","K","1/LMO","H","NU","DELTATHETA","T0C","P","CL","ALBEDO(MET)","ALBEDO(DISP)","ALPHA(MET)","ALPHA(DISP)","TSEA","DELTAT","SIGMATHETA","RHUM","Q0","LAMBDAE","RHU","DRHDZU","PROCESSED_DATA:","USTAR","UG","UGSTAR","PHI0","PHIG","DELTAPHI","PHISEC","WSTAR","FTHETA0","K","1/LMO","H","NU","DELTATHETA","T0C","P","DELTAT","SIGMATHETA","Q0","LAMBDAE","RHU","DRHDZU","Z0(MET)","Z0(DISP)"]
[-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999]
[-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999,-999]

{"sheet":"Backend","index":8,"n_rows":7,"n_cols":1,"rows_kept":7,"cut":false,"hidden":true,"merged":[]}
["Hidden from user:"]
[]
["Data validation"]
["OH allowed units"]
["molecules.cm-3"]
["µg.m-3"]
["ppb"]