User's Guide to PHREEQC
Line 1: phase name [saturation index ([alternative formula] or [alternative phase]) [amount]]
Line 1: chemical formula, amount
Line 1: -equilibrate number
Line 2: exchanger name, amount
Line 1: exchange name, exchange master species
Line 1: Association reaction
Line 2: log_k log K
Line 3: delta_h enthalpy, units
Line 4: -analytical_expression A1, A2, A3, A4, A5
Line 5: -no_check
Line 6: -mole_balance formula
Line 1: -pressure pressure
Line 2: -volume volume
Line 3: -temperature temp
Line 4: phase name, partial pressure
Line 1: -solutions, list of solution numbers
Line 2: -uncertainty, list of uncertainties
Line 3: -phases
Line 4: phase name [constraint]
Line 5: -balances
Line 6: element or valence state name [list of uncertainties]
Line 7: -range [maximum]
Line 8: -minimal
Line 9: -tolerance tol
Line 1: -iterations iterations
Line 2: -tolerance tolerance
Line 3: -step_size step_size
Line 4: -pe_step_size pe_step_size
Line 5: -diagonal_scale [True or False]
Line 6: -debug_prep [True or False]
Line 7: -debug_set [True or False]
Line 8: -debug_model [True or False]
Line 9: -debug_inverse [True or False]
Line 10: -logfile [True or False]
Line 1: solution number, mixing fraction
Line 1: Phase name
Line 2: Dissolution reaction
Line 3: log_k log K
Line 4: delta_h enthalpy, units
Line 5: -analytical_expression A1, A2, A3, A4, A5
Line 1: -reset [True or False]
Line 2: -eh [True or False]
Line 3: -equilibrium_phases [True or False]
Line 4: -exchange [True or False]
Line 5: -gas_phase [True or False]
Line 6: -other [True or False]
Line 7: -saturation_indices [True or False]
Line 8: -species [True or False]
Line 9: -surface [True or False]
Line 10: -totals [True or False]
Line 11: -selected_output [True or False]
Line 12: -status [True or False]
Line 1: (phase name or formula), relative stoichiometry
Line 2: list of reaction amounts, units
Line 1: (phase name or formula), relative stoichiometry
Line 2: reaction amount [units] [in steps]
Line 1: list of temperatures
Line 1: temp1, temp2, in steps
Line 1: -file file name
Line 2: -totals element list
Line 3: -molalities species list
Line 4: -activities species list
Line 5: -equilibrium_phases phase list
Line 6: -saturation_indices phase list
Line 7: -gases gas list
Line 1: temp value
Line 2: pH value [([charge] or [phase name] [saturation index])]
Line 3: pe value [([charge] or [phase name] [saturation index])]
Line 4: redox redox couple
Line 5: units concentration units
Line 6: density value
Line 7: element list, concentration, [units], ([as formula] or [gfw gfw]), [redox couple], ([charge] or [phase name] [saturation index])
Line 1: element name, master species, alkalinity, (gram formula weight or formula), gram formula weight of element
Line 1: Association reaction
Line 2: log_k log K
Line 3: delta_h enthalpy, units
Line 4: -analytical_expression A1, A2, A3, A4, A5
Line 5: -gamma Debye-Hückel a, Debye-Hückel b
Line 6: -no_check
Line 7: -mole_balance formula
Line 1: -equilibrate number
Line 2: surface name, sites, specific area, mass
Line 3: -diffuse_layer [thickness]
Line 4: -no_edl
Line 1: formula, sites, specific area, mass
Line 2: -diffuse_layer [thickness]
Line 3 -no_edl
Line 1: surface binding-site name, surface master species
Line 1: Association reaction
Line 2: log_k log K
Line 3: delta_h enthalpy, units
Line 4: -analytical_expression A1, A2, A3, A4, A5
Line 5: -no_check
Line 6: -mole_balance formula
Line 1: comment
Line 1: -cells ncell
Line 2: -shifts nshift
Line 3: -print modulus
Line 4: -selected_output modulus