!********************************************************************************** ! This computer software was prepared by Battelle Memorial Institute, hereinafter ! the Contractor, under Contract No. DE-AC05-76RL0 1830 with the Department of ! Energy (DOE). NEITHER THE GOVERNMENT NOR THE CONTRACTOR MAKES ANY WARRANTY, ! EXPRESS OR IMPLIED, OR ASSUMES ANY LIABILITY FOR THE USE OF THIS SOFTWARE. ! ! CBMZ module: see module_cbmz.F for references and terms of use !********************************************************************************** ! file module_data_cbmf.f !----------------------------------------------------------------------------- module module_data_cbmz integer nfixed_kppmax parameter (nfixed_kppmax = 20) integer nreact_kppmax parameter (nreact_kppmax = 256) real avognumkpp parameter (avognumkpp = 6.02252e23) ! molecules/mole integer nvar_r01_kpp, nfix_r01_kpp, nreact_r01_kpp, & lu_nonzero_v_r01_kpp parameter ( nvar_r01_kpp = 28 ) parameter ( nfix_r01_kpp = 5 ) parameter ( nreact_r01_kpp = 74 ) parameter ( lu_nonzero_v_r01_kpp = 194 ) integer nvar_r02_kpp, nfix_r02_kpp, nreact_r02_kpp, & lu_nonzero_v_r02_kpp parameter ( nvar_r02_kpp = 48 ) parameter ( nfix_r02_kpp = 5 ) parameter ( nreact_r02_kpp = 118 ) parameter ( lu_nonzero_v_r02_kpp = 459 ) integer nvar_r03_kpp, nfix_r03_kpp, nreact_r03_kpp, & lu_nonzero_v_r03_kpp parameter ( nvar_r03_kpp = 53 ) parameter ( nfix_r03_kpp = 5 ) parameter ( nreact_r03_kpp = 134 ) parameter ( lu_nonzero_v_r03_kpp = 564 ) integer nvar_r04_kpp, nfix_r04_kpp, nreact_r04_kpp, & lu_nonzero_v_r04_kpp parameter ( nvar_r04_kpp = 39 ) parameter ( nfix_r04_kpp = 5 ) parameter ( nreact_r04_kpp = 106 ) parameter ( lu_nonzero_v_r04_kpp = 334 ) integer nvar_r05_kpp, nfix_r05_kpp, nreact_r05_kpp, & lu_nonzero_v_r05_kpp parameter ( nvar_r05_kpp = 59 ) parameter ( nfix_r05_kpp = 5 ) parameter ( nreact_r05_kpp = 150 ) parameter ( lu_nonzero_v_r05_kpp = 606 ) integer nvar_r06_kpp, nfix_r06_kpp, nreact_r06_kpp, & lu_nonzero_v_r06_kpp parameter ( nvar_r06_kpp = 64 ) parameter ( nfix_r06_kpp = 5 ) parameter ( nreact_r06_kpp = 166 ) parameter ( lu_nonzero_v_r06_kpp = 715 ) integer & ino_z, ino2_z, ino3_z, & in2o5_z, ihono_z, ihno3_z, & ihno4_z, io3_z, io1d_z, & io3p_z, ioh_z, iho2_z, & ih2o2_z, ico_z, iso2_z, & ih2so4_z, inh3_z, ihcl_z, & ich4_z, ic2h6_z, ich3o2_z, & iethp_z, ihcho_z, ich3oh_z, & ic2h5oh_z, ich3ooh_z, iethooh_z, & iald2_z, ihcooh_z, ipar_z, & iaone_z, imgly_z, ieth_z, & iolet_z, iolei_z, itol_z, & ixyl_z, icres_z, ito2_z, & icro_z, iopen_z, ionit_z, & ipan_z, ircooh_z, irooh_z, & ic2o3_z, iro2_z, iano2_z, & inap_z, ixo2_z, ixpar_z, & iisop_z, iisoprd_z, iisopp_z, & iisopn_z, iisopo2_z, idms_z, & imsa_z, idmso_z, idmso2_z, & ich3so2h_z, ich3sch2oo_z, ich3so2_z, & ich3so3_z, ich3so2oo_z, ich3so2ch2oo_z, & imtf_z, & ih2o_z, io2_z, in2_z, & ih2_z parameter ( & ino_z=01, ino2_z=02, ino3_z=03, & in2o5_z=04, ihono_z=05, ihno3_z=06, & ihno4_z=07, io3_z=08, io1d_z=09, & io3p_z=10, ioh_z=11, iho2_z=12, & ih2o2_z=13, ico_z=14, iso2_z=15, & ih2so4_z=16, inh3_z=17, ihcl_z=18, & ich4_z=19, ic2h6_z=20, ich3o2_z=21, & iethp_z=22, ihcho_z=23, ich3oh_z=24, & ic2h5oh_z=25, ich3ooh_z=26, iethooh_z=27, & iald2_z=28, ihcooh_z=29, ipar_z=30, & iaone_z=31, imgly_z=32, ieth_z=33, & iolet_z=34, iolei_z=35, itol_z=36, & ixyl_z=37, icres_z=38, ito2_z=39, & icro_z=40, iopen_z=41, ionit_z=42, & ipan_z=43, ircooh_z=44, irooh_z=45, & ic2o3_z=46, iro2_z=47, iano2_z=48, & inap_z=49, ixo2_z=50, ixpar_z=51, & iisop_z=52, iisoprd_z=53, iisopp_z=54, & iisopn_z=55, iisopo2_z=56, idms_z=57, & imsa_z=58, idmso_z=59, idmso2_z=60, & ich3so2h_z=61, ich3sch2oo_z=62, ich3so2_z=63, & ich3so3_z=64, ich3so2oo_z=65, ich3so2ch2oo_z=66, & imtf_z=67, & ih2o_z=68, io2_z=69, in2_z=70, & ih2_z=71 ) integer ngas_z parameter (ngas_z=71) character(len=12), save :: name_z(ngas_z) = (/ & 'no ', 'no2 ', 'no3 ', & 'n2o5 ', 'hono ', 'hno3 ', & 'hno4 ', 'o3 ', 'o1d ', & 'o3p ', 'oh ', 'ho2 ', & 'h2o2 ', 'co ', 'so2 ', & 'h2so4 ', 'nh3 ', 'hcl ', & 'ch4 ', 'c2h6 ', 'ch3o2 ', & 'ethp ', 'hcho ', 'ch3oh ', & 'c2h5oh ', 'ch3ooh ', 'ethooh ', & 'ald2 ', 'hcooh ', 'par ', & 'aone ', 'mgly ', 'eth ', & 'olet ', 'olei ', 'tol ', & 'xyl ', 'cres ', 'to2 ', & 'cro ', 'open ', 'onit ', & 'pan ', 'rcooh ', 'rooh ', & 'c2o3 ', 'ro2 ', 'ano2 ', & 'nap ', 'xo2 ', 'xpar ', & 'isop ', 'isoprd ', 'isopp ', & 'isopn ', 'isopo2 ', 'dms ', & 'msa ', 'dmso ', 'dmso2 ', & 'ch3so2h ', 'ch3sch2oo ', 'ch3so2 ', & 'ch3so3 ', 'ch3so2oo ', 'ch3so2ch2oo ', & 'mtf ', & 'h2o ', 'o2 ', 'n2 ', & 'h2 ' /) ! photolyzing species reactions integer & jphoto_no2, jphoto_no3, jphoto_hono, & jphoto_hno3, jphoto_hno4, jphoto_n2o5, & jphoto_o3a, jphoto_o3b, jphoto_h2o2, & jphoto_hchoa, jphoto_hchob, jphoto_ch3ooh, & jphoto_ethooh, jphoto_ald2, jphoto_aone, & jphoto_mgly, jphoto_open, jphoto_rooh, & jphoto_onit, jphoto_isoprd parameter ( & jphoto_no2=1, jphoto_no3=2, jphoto_hono=3, & jphoto_hno3=4, jphoto_hno4=5, jphoto_n2o5=6, & jphoto_o3a=7, jphoto_o3b=8, jphoto_h2o2=9, & jphoto_hchoa=10, jphoto_hchob=11, jphoto_ch3ooh=12, & jphoto_ethooh=13, jphoto_ald2=14, jphoto_aone=15, & jphoto_mgly=16, jphoto_open=17, jphoto_rooh=18, & jphoto_onit=19, jphoto_isoprd=20 ) ! ! parameter statements from cbmz_local.h ! integer ngas_m1, nrxn_m1, ngas_m2, nrxn_m2, & ngas_m3, nrxn_m3, ngas_m4, nrxn_m4 parameter(ngas_m1 = 31, nrxn_m1 = 74, & ! background troposphere ngas_m2 = 19, nrxn_m2 = 53, & ! urban ngas_m3 = 5, nrxn_m3 = 16, & ! rural continental ngas_m4 = 11, nrxn_m4 = 32) ! remote marine integer ngas_tot parameter(ngas_tot= ngas_m1 + ngas_m2 + ngas_m3 + ngas_m4) integer ngas_r1, ngas_r2, ngas_r3, ngas_r4, ngas_r5, ngas_r6 parameter(ngas_r1 = ngas_m1) ! regime 1 parameter(ngas_r2 = ngas_m1 + ngas_m2) ! regime 2 parameter(ngas_r3 = ngas_m1 + ngas_m2 + ngas_m3) ! regime 3 parameter(ngas_r4 = ngas_m1 + ngas_m4) ! regime 4 parameter(ngas_r5 = ngas_m1 + ngas_m2 + ngas_m4) ! regime 5 parameter(ngas_r6 = ngas_m1 + ngas_m2 + ngas_m3 + ngas_m4)! regime 6 integer nperox parameter(nperox=10) ! total number of alkylperoxy radicals integer nphoto parameter(nphoto=20) ! total number of photolysis rxn rates ! permutation reactions of alkyl/acyl peroxy radicals integer & jch3o2, jethp, jro2, jc2o3, jano2, & jnap, jisopp, jisopn, jisopo2, jxo2 parameter ( & jch3o2=1, jethp=2, jro2=3, jc2o3=4, jano2=5, & jnap=6, jisopp=7, jisopn=8, jisopo2=9, jxo2=10 ) end module module_data_cbmz