Trying to use the Monochloramine Decomposition multi species analysis setup that was imported from the engineering library, but I keep getting an error that reads "Could not solve reaction equilibrium expressions". What am I setting up wrong in my Model Configuration?
Multi Species Analysis Setup
[TITLE] Monochloramine Decomposition ; MSX sample, see MSX manual Page 64 ff. ; This example illustrates a complex chemical reaction system involving ; both kinetic rate expressions and nonlinear equilibrium relationships. ; The system being studied is the auto-decomposition of monochloramine ; to ammonia in the presence of natural organic matter (NOM). ; When chloramines are used as a secondary disinfectant care must be ; taken to avoid producing excessive amounts of free ammonia that can ; contribute to biological nitrification episodes within the ; distribution system.
[OPTIONS] RATE_UNITS HR SOLVER ROS2 COUPLING NONE TIMESTEP 300 RTOL 0.0001 ATOL 1.0e-8
[SPECIES] BULK HOCL MOLES ;hypochlorous acid BULK NH3 MOLES ;ammonia BULK NH2CL MOLES ;monochloramine BULK NHCL2 MOLES ;dichloramine BULK I MOLES ;unknown intermediate BULK OCL MOLES ;hypochlorite ion BULK NH4 MOLES ;ammonium ion BULK ALK MOLES ;total alkalinity BULK TOC MOLES ;total organic carbon BULK H MOLES ;hydrogen ion BULK OH MOLES ;hydroxide ion BULK CO3 MOLES ;carbonate ion BULK HCO3 MOLES ;bicarbonate ion BULK H2CO3 MOLES ;dissolved carbon dioxide
[COEFFICIENTS] PARAMETER k1 1.5e10 PARAMETER k2 7.6e-2 PARAMETER k3 1.0e6 PARAMETER k4 2.3e-3 PARAMETER k6 2.2e8 PARAMETER k7 4.0e5 PARAMETER k8 1.0e8 PARAMETER k9 3.0e7 PARAMETER k10 55.0 PARAMETER k11 3.0E4 PARAMETER k12 6.5E5 CONSTANT S1 0.02 CONSTANT S2 0.50
[TERMS] k5 (2.5e7*H) + (4.0e4*H2CO3) + (800*HCO3) a1 k1*HOCL*NH3 a2 k2*NH2CL a3 k3*HOCL*NH2CL a4 k4*NHCL2 a5 k5*NH2CL*NH2CL a6 k6*NHCL2*NH3*H a7 k7*NHCL2*OH a8 k8*I*NHCL2 a9 k9*I*NH2CL a10 k10*NH2CL*NHCL2 a11 k11*S1*TOC*NH2CL a12 k12*S2*TOC*HOCL
[PIPES] RATE HOCL -a1 + a2 - a3 + a4 + a8 – a12 RATE NH3 -a1 + a2 + a5 - a6 + a11 RATE NH2CL a1 - a2 - a3 + a4 - a5 + a6 - a9 - a10 – a11 RATE NHCL2 a3 - a4 + a5 - a6 - a7 - a8 - a10 RATE I a7 - a8 - a9 RATE H 0 RATE ALK 0 RATE TOC 0 EQUIL OCL H*OCL - 3.16E-8*HOCL EQUIL NH4 H*NH3 - 5.01E-10*NH4 EQUIL CO3 H*CO3 - 5.01E-11*HCO3 EQUIL H2CO3 H*HCO3 - 5.01E-7*H2CO3 EQUIL HCO3 ALK - HCO3 - 2*CO3 - OH + H EQUIL OH H*OH - 1.0E-14
Model Configuration:
[SOURCES]SETPOINT 534 NH2CL 6E-5
[QUALITY]GLOBAL ALK 0.004GLOBAL H 2.818E-8