Neutralizer (acid/base titration) simulation

2 inlets (liquor + reagent supply) -> neutralized liquor, unused reagent

Governing equations

The exact equations the solver works for a neutralizer (acid/base titration) — the same math shown in the app's "Theory" panel, not a black box.

$c_i$

analytical molarity of acid/base i [mol/L], from the water-flow volume

$z_i$

net charge per mole of i at this [H+] (its speciation)

$\mathrm{pH}_{target}$

the setpoint the reagent dose is solved to

$Q$

heat of neutralization released [W]

$H$

proton-transfer enthalpy of a solution relative to fully protonated acids, neutral weak bases and un-ionised water [J/s]

$\Delta H_{diss,j}$

dissociation enthalpy of step j (the van't Hoff slope x R)

$\alpha_{>j}$

fraction of the solute past dissociation step j

$\Delta H_w$

water ionisation enthalpy, 55.8 kJ/mol

$c_{SB}$

OH- delivered by strong bases [mol/L]

$F$

molar flow [mol/s]

$h$

molar enthalpy from the property package [J/mol]

Parameters

Acid/base titration on the aqueous speciation (hcl, hno3, h2so4, phosphoric_acid, ammonia, naoh, koh, lioh, lime = Ca(OH)2, acetic_acid, co2); inlets in order liquor then reagent (or an edge into port 'reagent') and outlets in order out then excess (the unused reagent); optional target_ph [-, the reagent dose is SOLVED by titration and drawn from the reagent inlet, which is the supply; a supply too small is dosed whole and reported unconverged with reagent_required_mol_s; blank = the whole reagent is mixed and the pH reported], temperature [K, outlet held here and duty reports the heat to add, negative = cooling; blank = adiabatic], species_map {component: solute id}, water_component [default 'water'], solution_density_kg_m3 [kg/m^3, default 1000], pressure [Pa]; heat of neutralization from the equilibria's own van't Hoff enthalpies (55.8 kJ/mol for H+ + OH- and 52.2 kJ/mol for NH3 + H+); the outlet carries the analytical totals of both inlets (exact component balance) and the salt formed is reported from the speciation (ammonium_mol_s, sulfate_mol_s, dihydrogen_phosphate_mol_s ...); not modelled: heats of dilution (metal hydrolysis and NH3 volatilisation neither); gypsum supersaturation is reported but not removed

Example flowsheets that use it