This report contains radiation chemistry input files for CHEMSIMUL, a program package for numerical simulation of Chemical reaction systems

Bjergbakke, Erling

Christensen, H.

Lang Rasmussen, Ole

Sehested, Knud

Online Research Database In Technology

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Downloaded from orbit.dtu.dk on: Mar 30, 2019Input Files for Computer Simulation of Water RadiolysisBjergbakke, Erling; Sehested, Knud; Forskningscenter Risø, Roskilde; Christensen, H.Publication date:1984Document VersionPublisher's PDF, also known as Version of recordLink back to DTU OrbitCitation (APA):Bjergbakke, E., Sehested, K., Lang Rasmussen, O., & Christensen, H. (1984). Input Files for ComputerSimulation of Water Radiolysis. Roskilde: Danmarks Tekniske Universitet, Risø Nationallaboratoriet forBæredygtig Energi.  Risoe-M, No. 2430o M s RISO-M-2430 Input Files for Computer Simulation of Water Radiolysis E. Bjergbakke, K. Sehested, O. Lang Rasmussen, H. Christensen Risø National Laboratory, DK-4000 Roskilde, Denmark April 1984 j + RISe-M-2430 INPUT FILES FOR COMPUTER SIMULATION OF WATER RADIOLYSIS E. Bjergbakke and K. Sehested, Accelerator Department O. Lang Rasmussen, Computer Installation H. Christensen, Studsvik Energiteknik AB, Sweden Abstract. This report contains radiation chemistry input files for CHEMSIMUL, a program package for numerical simulation of Chemical reaction systems. INIS-descriptors; CARBONATES; CHEMICAL REACTION KINETICS; CHLORIDES; COMPUTERIZED SIMULATION; G VALUE; IRON COMPOUNDS; RADIOLYSIS; HATER UDC 681.3.06 : 546.212 : 511.15 April 1984 Risø National Laboratory, DK 4000 Roskilde, Denmark ISBN 87-550-1001-6 ISSN 0118-6435 Risø Repro 1984 CONTENTS Pag« 1. INTRODUCTION 5 2. VATER REACTIONS 6 3. CARBONATE REACTIONS 8 4. FERROUS REACTIONS 9 5. CHLORIDE REACTIONS 10 6. Fe-Cl REACTIONS 12 7. OZONE REACTIONS 13 8. HIGH TEMPERATURE HATER REACTIONS 14 9. G-VALUES 16 REFERENCES •. 21 - 5 -1. OTMMCTrø Over the years we have constructed a series of input files for computer-simulation (1) of water radiolysis experiments. These files have proved ade-quate for simulation of our experimental results. The files are continously objects for revisions as reactions and rate constants become better known. The reaction equations are numbered in succession in order to facilitate addition of files. The rate constants are written after each equation sepa-rated with ";". The unit for the rate constant derives from the left-hand side of the equation. If there is only one reactant the unit is s~l, if there are two the unit is dm*mol",s~l. If the two reactants are identical the rate constant is given as Ik. In order to preserve the mass, the water concentration is included in the computations and reactions with water are second-crder reactions. Note that E[-] symbolize one electron plus one water molecule, where no ref-erence is givra the rate constants are chosen from the NBS-tables '2.3,1.5,6). The G-value files are constructed with a complete preservation of mass and charge: Hydrogen balance -C(K2O)-0.5«C(0H)*0.5»C(H)*C(H2)*C(H2O2)*0.5*C(H[+])*O.5»G(OH[-])+C(E[-] Oxygen balance -G(K20)-G(0H)*2G(H202)*G(0H[-])*G(E[-]) Charge balance G<H[*]>-G(E[-])*G(0HM) - 6 -2 . M å m IKACTIOBS FILENAME-EB/WATER This file contains reactions for simulation of radiolysis of acid, neutral and alkaline water. References and notes RE1:OH+OH«H202;6E9 RE2:uH*E[-]«OH[-]*K20;2.5E10 RE3::H+H-H20;2.5E10 RE*»:0H*0[->H02[-];1.8E10 RE5:0H+H02-H203;7.9E9 RE6:OH*02[-]-OH[-]*02;E10 RE7:OH+03[-]-03*OH[-];2.5E9 (7) RE8:OH+03[-]-H02*02[-];6E9 (7) RE9:OH*H202-H20*02[->H[+];2.7E7 RE10:0H*H02[-]-H2O*O2[-];7.5E9 (8) RE11:0H+0H[']-0[-]+H20;1.4E10 RE12:0H+H2-H20+H;1E7 RE13:0f>O3-02[-]+O2+H[*];E8 (9) RE19:E[-]+E[-]«2»0H[-]+H2;3E9 RE20:E[-]*H-0H[-]*H2;2E10 RE21 :E[->O[-]-2«OH[-];1.5E10 RE22:E[-]+02[-]-H02[-]+OH[-];1.2E10 RE23:E[-]*H202-0H*0H[-]*H20;U6E10 RE2M:E[-]*H02[-]-0[->0H[->H20;3.5E9 RE25:E[-]*H[*>H*H20;2.2E10 RE26: E[- >02«02[ - ]*H20; 2E10 RE27:E[-]*C3-03C-]*H20;3.6E10 (10) RE28:E[-]*N20-O[->N2*H20;9E9 RE31:H*H-H2;E10 RE32:H*H02-H202$2E10 RE33:H*O2[-]-HC2t-];2E10 RE3"» :H*H202-0H*H20; 6E7 RE35:H*OH[->EC-];1.5E7 RE36:H*O2-O2[-]*H[*];2E10 RE37:H*O3-OH*O2;3.6E10 (10) - 7 -RE38:H*0[-]-OH[-];2E10 REM3:0[->0[-]-02[~ ];9E8 RE«:0[-]*02[-]-03C—];3.5E8 (11 )' RE45:0[->O3[->2*02[-];3.5E8 (11) REl6:0[-]*H202«02[-]+H20;5E8 (8) RE*7:0[-]*H02[-]-OH[-]*02[-];3.5E8 18) REH8:0[-]*H20-0H*0H[-];2E6 REM9:O[-]*02-O3C-];3.0E9 RE50:0[-]*H2-0H[->H;2E8 (12) RE56 :H02«02I»H[ • ] ; 8E5 RE57:H02+H02-02+H202;7-5E5 RE58:H02*02[-]-02*H02[-];E8 RE61:02[-]*H[*]-H02;5E10 RE62:02[-]*03»03[-]*02;1.529 (10) RE64:H203«02+H20;2.1 (13) RE65:03C-]-O[-]*02;3.3B3 (11) RE66:03C->H[+]-OH*O2;9E10 (7) RE68:H202*0H[->H02[-]+H20;5E8 RE69:H02[-]*H20-H202*0H[-];5.735Ei| RE70:HO2[-]+O3-O3[-]*O2[-]+H[*];3E6 (15) RE73:H2O«H[*>0H[-];2.599E-5 RE71:H20*02[—]-H02[-]*OH[-];E8 (a) RE75:H20*03[~>02*2»0H[-];E8 (a) RE76:H[+]*OH[-]-H20;1.«3F11 Notes: (a) Balance reactions of no significance for the kinetics. \ - 8 -3. CIKBGUTI uåcnws FILENAME-EB/CARBONATE This file contains reactions that are used for simulation of radiolysis of carbonate in aqueous solution when combined with EB/UATER. References and notes RE80:OH*C03[~ >C03l»OH[-];4E8 RE81 :OH*HC03C-]-C03C->H20;1.5E7 RE82:O2[-]*CO3C-]-C03C~3*O2;3.2E8 (a) RE83:H202*C03C->C03C—]*02[-]*2»H[+];4.3E5 (a) HE81l:HO2[-]*C03t-]-CO3C—]*02[-]*HC+];3E7 (a) RE85:03C-]*C03[-]-C03[—]*03;6E7 (16) RE86:H[*]*HCO3[-]«C02*H2O;E10 (b) RE87:OH[-]*HC03[-]-C03[—>H20;E9 (c) RE88:H20+C02-HC03C-]*Ht*];70 (b) RE89:H20*C03C—]-HC03C-]*OH[-];3.6E3 (c) RE90:H20*C0H[—]-HO2[->(»l[-]*C02;0.2 (a) RE91:C03[->C03C-]-C04[—]*C02;7E6 Notes: (a) K.Sehested, to be published. (b) pK(C02/HC03M) - 6.1. (c) pK(HCO3C-3/C03t—3) - 10.3. - 9 -». RUKJOS REACTIONS FILENAME-EB/FE This file contains reactions that are used for siaulation of radiolysis of ferrous/ferric in acid aqueous solution when combined with EB/HATER. References and notes RE105:FE[••]*OH-FE[•••]+0H[-];3•*E8 RE106:FE[**>E[-]-FE[***]*0H[->H[-]; 1.2E8 RE107:FB[***]+E[-]»FB[**]*H2O;2K10 RE108:FE[*+]*H-FE[*++]*H[-];1.3E7 llS109:FBC»*+>H-FB[+*]+HM;1B8 RE110:FE[+*]*H02«FE[+**]*H02[-];1.6E6 RE111:FE[**]*02[-3-FEC***]+02[—];2E8 (a) RE112:FE[***]*02[-]-FE[++]*02;5E8 (a) REn3:FE[**>H202-FE[***>0H*0H[-];62 (17) RE11«:FE[+*]*H203-FE[**+>HO2*0H[-];6EU (18) RE115:HM*H20-H2*0H[-3;E6 (b) RE116:02[«]*H20«H02M*0H[-];E6 (b) Notes: (a) Calculated froa refs. 08) and (19). (b) Balance reactions cf no significance for the kinetics. - 10 -5. OUXIM tBICTIOBS FILENANE-EB/CHLORIDE This f i l e contains reactions that are used for simulation of radiolysis of chloride in acid and neutral aqueous solution when coabined with EB/WATER. References and notes RE125: 0H>CL[->CL0H[-]; 4. 3E9 RE126:0H+HCL0-CL0+H20;9E9 RE127:0H+HCL02-CL02+H20;6.3E9 RE128: E[~ ]*CL«CL[- >H2G; El 0 RE129:E[~>CL2[->2*CL[-]*H20;E10 RE130:E[~>CLOH[-]-CL[-]*OH[-]*H2O;E10 (a) RE131:E[->HCLO«CLOH[-]+H2O;5.3E10 RE132:E[->CL2-CL2[->H20;E10 (a) RE133:E[-]*CL3C->CL2[-]*CL[-]*H20;E10 (a) RE13M:E[-]+HCL02-CLO+OH[-]*H20:M.5E:0 RE135:E[-]*HCL03-CL02*0H[-]+H20;1E6 RE136:!>CL-CL[-]*H[*];E10 (a) RE137:H*CL2[~]-2«CL[-]+H[*];8E9 (20) RE138:H>CL0H[-]«CL[~]*H20;E10 RE139:H*CL2-CL2[-]*H[*];7E9 (20) RE1MO:H*HCLO-CLOHC-]*H[+];E10 RElM1:H*CL3C-]-CL2t'>CL[-]*H[*];E10 RE1H2:K02*CL2[->2«CL[-]*02*H[•]{4E9 RE143;H02*CL2-CL2£-]*02*H[*];E9 (21) RE111:H02*CL3[->CL2[->CL[->02*H[>];E9 RElM5:02[->CL2[-]-2«CL[-]*02;1.2E10 (20) RE116:02[-]*HCL0-CL0H[->02;7.5E6 (22) RE1*7:H2O2*CL2[->2»CL[-]*02[->2»H[*];1 .4E5 (23) RE118:H202*CL2-H02*CL2C-]*H[*];1.9E2 (24) REH9:H202*HCL0-CL[-]*02*H20*H[*.lj1 -7E5 (25) RE150:0H[->CL2[->CL0H£->CL[-];7.3E6 (23) RE151sOH[-]*CL2-HCLO*CL[-];3.88E11 (b) RE152:H[*]*CL0H[-]-CL*H20;2.1E10 (26) RE153sH20*CL202-HCLO*HCL02;2E2 (a) RE151:H20*CL202-02*HCL0*CL[->H[•];E2 (a) - 11 -RE155:H20+CL20-2*HCLO;E2 (a) RE156:H2O*CL204-HCLO2*HCL03;E2 (a) RE157:H20*CL20M-2»02+HCL0*CL[-]+H[*];E2 (a) RE158:CU>]+CL-CL2[-];2.1E10 (26) RE159:CL[->CL0H[->CL2[-]*0H[-];9E1 (27) RE160:CL[-]*HCLO-CL2+OH[-];10 (b) REl6l:CL[-]+CL2«CL3[-];1EH (c) RE162:CL0H[->0H+CL[-];6.1E9 (26) RE163:CL2[-]«CL+CL[-];1.1E5 (26) REl6H:CL2r-]+CL2[-]-CL3C-]+CL[-];7E9 REl65:CL3C-]-CL2+CL[-];5El (c) RE166:CLO+CLO-CL202;1.5E10 RE167:CL02+CL02-CL204;E2 (a) RE168:CL202+HCLO2-HCL03*CL20;E2 (a) Notes: (a) Reaction not known, arbitrary rate constant. (b) Based on eq.constant for C12+H20-HC10*Cl[-]*H[+];K-3.88E-i|, ref. (28). (c) Based on eq.constant for C12+Cl[-]-C13C~];K-0.l8, ref. (28). - 12 -6 . Fe-Cl REåCTKMS FILBNAHE-EB/FECL This file contains reactions that are used for simulation of radiolysis of chloride • ferrous/ferric in aqueous solution when combined with EB/HATER, EB/FE, and EB/CHLORIDE. References and notes (29) (30) (30) (a) Notes: (a) Estimated from ref. (3D. RE170:CL*FEO*>FE[***]+CL[-];1.05E10 RE171:CLOH[->FE[**>FE[**+>CL[-]+OHC'];E8 RE172:CL2[->FE[+*>FE[***>2«CL[-];1E7 RE173:CL2+FEL+* >FE[•••]+CL2[-];80 RE174:HCL0*FE[+>FE[***>CL0H[-];3.6E3 RE175:CL3[-]*FEC**]-FE[+++]*CL2[-]*CL[-];2E5 - 13 -7. OZOn HEåCTIOBS FILENAME - EB/OZONE This file contains reactions that are used for simulation of radiolysis of ozone in neutral and alkaline aqueous solution when combined with EB/MATER. References and notes RE180:OH*03-02[->02*H[*];1.1E8 (9) RE181 :E[->03-03[-]+H20;3.6E10 (10) RE182:H+03-OH*02;3.65E10 (10) REl83:O[-]*O3-02[-]+O2;E9 (a) RE184:02[->03-03I»02;1.52E9 (10) REl85:H02[-]+03-03[->02[->H[+];3E6 (32) Notes: (a) Estimated rate constant. \ - 14 -8 . HIGH TMBlåTOE M i m tEACTIOKS FILENAHE-EB/H20TEMP This file is used for simulation of radiolysis of water at high temperature (temperature constant or a function of time). After each reaction equation the activation energy Ea (kcal*mol-1) and the frequency factor A are sepa-rated by a comma in writing. Hhere no reference is mentioned Ea is taken from Jenks estimated values (33,34). A is calculated from the rate constant at room temperature. The rate constants at T degree Kelvin is calculated from the Arrhenius equation: k - A*e-503.3«Ea/T References and notes REt:0H+0H-H202;3,6.57E11 RE2:OH*E[-]-OH[->H20;3,3.28E12 RE3:0H*H-H20;3,4.1E12 REM:OH*H02-02+H20;3,1.3E12 RE5:OH*02[-]-02*OH[-3;3,l.64E12 RE6:0H+H2O2-H20+H02;3.4,4.74E10 <&) RE7:0H+H2-H+H20;1.6,8.ME10 (35) RE8:E[->E[-]«2«OH[-j*H2;5.3.JME13 RE9:E[->H«0H[->H2;3»3.28E12 RE10:E[->HO2-H2O2*OH[-];3,3.28E12 RE11:E[-]+02[-]-H02[-]*OH[-];l|.5,2.7JIE13 RE12:E[-]*H202-0H*0H[-]*H20;3,2.63E12 RE13:E[-]*H[*]-H+H20;3,3.61E12 RE11:E[-]*H20-H*OH[->H20{3,3.28E3 RE15:E[-]*02-02[']*H20;3,3.28E12 RE16:H*H-H2;3,1.61E12 RE17:H+H02-H202;3,3.28E12 REl8:H+02[-]-H02[-]53,3.28E12 RE19:h>H202-OH*H20j»».5f 1.26E11 RE20:H*0H[->E[-];3»3.28E9 RE21sH*02-H02?3,3.28E12 RE22!H02*02[->02*H02[-]{i|.5,1.79E11 RE23sH02-02C->H[+];3,1.31E8 - 15 -RE2*:02[-]*Ht*]-H02;3,8.21E12 RE25:H202*OHt-]-H02C-]*H20;*.5.1.05EI2 RE26: IK)2[-]*H20-H202*(W[-]; 3,9 .12Fo RE27:H202-H20*0;17.3-78E7 RE28:0+0-02;3,1.60E12 RE29: H[ • ]*tW[->H20; 3,2 • 35E13 RE30:H2O-H[*]+OH[-];3.1.27E-3 - 16 -9. G-WLOtS FILED AME-EB/GAmA This f i l e contains G-values for low-LFT electron and gaaaa irradiation of neutral water, ref. (36) . G(0H)-2.67 G(E[-])«2.66 G(H)-0.55 G(H2)-0.45 G(H202)-0.72 G(H[*])-2.76 G(0H[-])-0.1 G(H20)—6.87 FILENAME-EB/GAMUPH0M6 This f i l e contains G-values for low-LET electron and gaaaa irradiation of water pH-0.46, ref . (36) . G(OH)»2.89 G(H)-3.62 G(H2)-0.395 G(H202)-0.76 G(H[*])-0.1 G(0HM)-0.1 G(H20)—M.51 ^ -- IT -FILEMAME-EB/GMMAPH1 This f i l e contains G-values for low-LET electron and gi—a irradiation of water pH-1, ref. (36) . G(0H)-2.83 G(H)-3.55 G(H2)-0.40 G(H202)-0.76 G(H[*])«0.1 G(0H[-]) -0.1 G(H20)—».45 FILBMME-EB/GMMAPH2 This f i l e contains G-values for low-LET electron and gaaaa irradiation of water pH-2, ref. (36). G(0H)-2.71 G(E[-])-2.80 C(H)-0.55 G(H2)-0.*25 G(H202)-0.73 G(HC*])-2.90 G(OHC-])-0.1 G(H20)—7.10 - 18 -FILENME-EB/GåMIåPIII 3 This f i l e contains G-values for low-LET electron and gaaaa irradiatiot. cf water pH-13. r e f s . (36.11) . C(0H)-3.0 G(E[-])-2.8 C(H)-0.55 G(H2)-0.«25 C(H02[-])«0.6 G(H[*])«3.90 G(0H[-])-0.5 G(H20)—7.50 FILEIAME-EB/CAItUPH1 * This f i l e contains G-values for low-LET electron and ga—• irradiation of water pH-1«. r e f s . (36.11) . G(OH)-3.3 C(E[-])-2.8 G(H)-0.55 C(H2)-0.*25 G(H02[-])-0.»5 G(H[<J)-3.75 C(0HC-])-0.5 C(H2C)— 7.50 - 19 -FILEMAHE-EB/M2GKI13 This file contains G-valuts for low-LEX electron and f — • irradiation of water pH-13. equilibrated uith * HPa 11,0. refs. (36.11)' C(E[-])-3.7 G(H)-0.55 G(0H)-3.* G(H02[-])-0.6 C(H2)-0.175 G(H£*])-*.8 C(0H[-]-0.5 G(H20)— 8.80 FILHIMC-EB/åLFå This file ccntains C-values for alfa irradiated neutral water. Based on refs. (37.38.39.%0) and best rit to experiments, ref. (*1). G(0H)-.2* C(E[-])-.06 C(H)-0.21 G(H2)-1.3 G(H2O2)-0.985 G(H02)-0.22 G(H[*])-0.06 G(H20)— 2.71 ^ \ -- 20 -FILQUHE-EB/MEUTRO« This f i l e contains G-values for neutron irradiated neutral water, ref . (37) . G(0H)-0.*6 G(E[-])-0.37 G(H)-0.36 G(H2)-1.12 G(H202)-1.00 G(H02)-0.17 G(H[*])-0.37 G(H20)—3.17 - 21 -REFERENCES (1) O.Lang Rasmussen and E. Bjergbakke, Ris#-R-395 (198«). (2) H. ånbar. H. Bsabenek and A.B. Ross, NSRDS-VBS »3 (1973) and suppl. (1975). (3) L.H. Dorfaan and G.E. Adaas. NSRDSHIBS 46 (1973). (ft) M. Anbar, Farhataziz and A.B. Ross. KSRDS-MBS 51 (1975). (5) FarhaUziz and A.B. Ross, NSRDS-IIBS 59 (1977). (6) A.B. Ross and P. Beta, KSRDS-MBS 65 (1979). (7) K. Sehested, J. Holcaan, E. Bjergbakke and E.J. Hart, J. Phys. Chea. 88 269 (198ft). (8) H. Christensen, K. Sehested and H. Corfitzen, J. Phys. Chea. 86 1588 (1982). (9) K. Sehested, J. Holcaan, E. Bjergbakke and E.J. Hart, aubm. publ. J. Phys. Chea. (10) K. Sehested, ... Holcaan and C.J. Hart, J. Phys. Chea. 87 1951 (1983). (11) K. Sehested, J. Holcaan, E. Bjergbakke and E.J. Kart, J. Phys. Chea. 86 2066 (1982). (12) B. Hickel and K. Sehested, Private coaaunication. (13) C. Czapski and B.H.J. Bielski, J. Phys. Chea. 67 2180 (1963). (1ft) B.L. Gall and L.H. Dorfaan, J. Aa. Chea. Soc. 9j_ 2199 (1969). (15) L. Forni, D. Bahneaan and E.J. Hart, J. Phys. Chea. 86 255 (1982). (16) J. Holcaan, K. Sehested, E. Bjergbakke and E.J. Hart, J. Phys. Chea. 86 2069 (1982), - 22 -(17) J.P. Kerne, Radiat. Res. 22 1* (1964). (18) K. Sehested, E. BJergbakke, O.L. Rasaussen and H. Pricke, J. Chen. Phys. 51 3159 (1969). (19) V.C. Barb, J.H. Baxendale, P. George and K.R. Hargrave, Trans. Faraday Soc. 47 »62 (1951). (20) S. Ravaratnaa, B.J. Parsons, A.J. Swallow, Radiat. Phys. Chea. J5_ 159 (1980). (21) E. Bjergbakke, S. Mavaratnaa, B.J. Parson« and A.J. SKallow, J. An. Chea. Soc. K £ 5926 (1981). (22) C.A. Long and B.H.J. Bielski, J. Phys. Chea. 8* 555 (1980). (23) K. Hasegawa and P. Ret«. J. Phys. Chea. 82 85* (1978). (24) A.K. Held, D.J. Halko and J.K. Hurst, J. Aa. Chea. Soc.100 5732 (1978). (25) R.E. Connick, J. An. Chea. Soc. 69 1509 (19*7). (26) G.G. Jayson, B.J. Parsons and A.J. Swallow, J. Chea. Soc. Faraday Trans. I 69 1597 (1973). (27) E. Bjergbakke, Radiolysis or salt-brint (1980). (28) N. Eigen and K. Kustin, J. Aa. Chea. Soc. 84 1355 (1962). (29) B.J. Parsons, unpublished results. (30) T.J. Conocchioli, E.J. Kaailton and N. Sutin, J. Aa. Chea. Soc. 87 926 (1965). (3D A.T. Thornton and G.S. Laurence, J. Chea. Soc. Dalton, 804 (1973). (32) J. Staehelin and J. Koigné, 5ch Oxon-tfeltkongress, Masser, Berlin, Collogiua Veriags «"**t Berlin 1981. (33) G.H. Jenks, ORHL-3848 (1965). - 23 -(3*) C H . Jenka, OMu>*173 (1967). (35) H. Christanaan and K. Sehested, J. Phya. Chan. 87 118 (1983). (36) K. Sahastad. E. BJargbakke and H. Fricke, Badiat. Baa. 56 385 (1973). (37) P. Cohan, Hater coolant technology of power reactors. Gordon and Breach, New York 1969. (38) B. Bibler, J. Phys. Chan. 78 211 (197*). (39) A.O. Allan, Tha radiation chanistry of water and aqueous solutions. D. van hostrand, Princeton 1961. (40) H.G. Burns and H.E. Sins, J. Chan. Soc. Faraday Trans. I 77 2803 (1981). (41) H. Christensen and E. Bjergbakka, STOSVIK/BV-82/36* (1982). Ris* Natioaal Laboratory W^-M-DEIL] Title and author(s) INPUT FILES FOR COMPUTER SIMULATION OF HATER RAOIOLYSIS E. Bjergbakke, K. Sehested, 0. Lang Rasaussen • and H. Christensen**) Department or group ACCELERATOR XX) Computer Installation Studsvik Energiteknik AB, Sweden Group's own registration number(s) tables • illustrations *•*• April 1984 abstract This report contains radiation cheaistry input files for CHENSIMUL, a program package for numerical simulation of chemical reaction systems. Copies to Available on request from Ris# Library, Ris* national Laboratory (Risø Bibliotek), Porsagsanlag Ris«), DK-4000 Iloskilde, Denmark Telephone: (03) 37 12 12, eat. 2262. Telex: 43116 \ Available on roqøost from. Rfao Library, Rtoo National Laboratory, P.O. Box 49, DK-4000 Roakiaa, Ommatk ISBN 97*990-1001-9 Phono (02) 371212 axt 2292 IS9N 0419-9439 

Input Files for Computer Simulation of Water Radiolysis

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Input Files for Computer Simulation of Water Radiolysis

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