aqion - Hydrochem Free Download References Screenshots aqion PRO pH Tables

Version History

vers 8.3 – Oct 2023

• new reactants added
• improvements for (numerical) stability

vers 8.2 – Jun 2023

• module reac: the upper limit of the amount of reactants is increased. If the ionic strength is too high (i.e., outside the validity of the activity models), a warning message appears stating that the calculated results are approximate values.
• tiny improvements for input of pCO₂
• tiny improvements for input of alkalinity
• calcite equilibrium calculations: improved handling of waters with nonzero charge balance

vers 8.1 – Jul 2022

• module reac allows the calculation of temperature profiles (see example)

vers 8.0 – Jun 2022

• module reac with the ability to change the temperature T (without addition of reactants)

vers 7.7 – Jan 2022

• pdf output of the input water (e.g. analytical sample) together with the chemical equilibrium results (including carbonate system, calcite saturation, etc.).

vers 7.6 – Sep 2021

• new reactants: H2SiF6 and K2SiO3
• selected units of reactants are remembered

vers 7.5 – Jun 2021

• reaction list in two modes: standard (main reactants only) and full (all 600+ reactants)

vers 7.4 – Apr 2021

• bugfix in multi-reactions using “forced mineral dissolution”
• layout-update message boxes

vers 7.3 – Jan 2021

• input (pe, Eh) for redox reactions/calculations simplified
• update example files
• new phase: Epsomite

vers 7.2 – Dec 2020

• layout improvements for output tables
• update parameter list for charge-balance adjustment

vers 7.1 – Aug 2020

• layout improvements for low-resolution screens
• configuration panel for minerals improved

vers 7.0 – May 2020

• layout adapted for Windows 10
• ammonium carbamate NH2CO2- (from Mani et al, J. Green Chem, Aug 2006)
• manual & examples: http ⇒ https protocol

vers 6.8 – Feb 2019

• Sn implemented (4 reactants, 6 minerals)
• methanosulfonic and toluenesulfonic acid
• phosphonic and phosphinic acids (from brgm.dat)

vers 6.7 – Sep 2018

• additional reactants (now 600 in aqion PRO)
• improved: NaOH, KOH (thermodynamic data from brgm.dat)

vers 6.6 – May 2018

• allows negative pH values (at least down to -1.0)
• new reactants: HClO3, NaClO3, HClO4, NaClO4

vers 6.5 – Mar 2018

• EC improved/corrected for N species
• cyanide species

vers 6.4 – Nov 2017

• titration: end value can be set freely (no longer fixed to 500 mM)
• added: pure metals Fe, Mn, Al, etc. (as equilibrium phases)
• added: EDTA, NTA, amino acids (glycine, glutamic acid) – aqion PRO

vers 6.3 – May 2017

• input panel: unit conversion simplified (mg/L <=> mM)
• bugfix: charge-balance adjustment with ammonium

vers 6.2 – Apr 2017

• better numerical stability
• upgrade to latest PhreeqC version 3.3

vers 6.1 – Feb 2017

• mineral dissolution/precipitation extended
• added: methanol, ethanol, ethylene glycol (aqion PRO)

vers 6.0 – Oct 2016

• new algorithm for “dosage of chemicals to attain target pH” (with/without mineral precipitation, open redox system, etc.)
• number of reactants: 455 (aqion PRO: 553)
• number of minerals: 227

vers 5.20 – Sep 2016

• improved “dosage of chemicals to attain target pH” (i.e. neutralization and/or acidification, preparations for version 6.0)

vers 5.19 – Jul 2016

• reactant: KHPhthalate
• refactoring chem classes
• new layout of online version (www.aqion.onl)

vers 5.18 – Jun 2016

• layout of main window improved (positioning of OpenDialog etc.)

vers 5.17 – Apr 2016

• bugfix for titration plots with NH4 reactants

vers 5.16 – Feb 2016

• titration plots improved
• mixing-water panel: input solution is automatically overtaken as 1st water

vers 5.15 – Jan 2016

• output of ‘half bound CO2’ and ‘firmly bound CO2’
• data export panel extended

vers 5.14 – Dec 2015

• new element: Co (+ species and minerals)
• new Co reactants

vers 5.13 – Nov 2015

• new reactants: Na citrate, Na ascorbate
• new organic NH4 reactants

vers 5.12 – Oct 2015

• output tables: SI can be sorted by name and formula

vers 5.11 – Sep 2015

• additional mineral phases: Ettringite, etc.
• new output table for minerals and SI

vers 5.10 – Aug 2015

• new tables for aqueous species

vers 5.9 – Jul 2015

• new grid structure of output tables
• more density data for BufferMaker

vers 5.8 – Jun 2015

• new: element Be
• total hardness based on Ca, Mg, Sr, Ba, Fe, Al, Zn, Cu, Ni
• output tables: mineral saturation indizes grouped into subsets: SI=0, SI>0, SI<0

vers 5.7 – May 2015

• six new Se minerals
• new Ba reactants
• titration plots extended for sulfites and sulfides

vers 5.6 – Apr 2015

• about 10 new NH4 reactants
• warning message when ionic strength > 1 M

vers 5.5 – Apr 2015

• first version of BufferMaker
• calculates densities of reactants (2D interpolation from density tables from Perry’s Chem Handbook)
• units for BufferMaker: mmol, mmol/L, mg, mg/L, wt%

vers 5.4 – Mar 2015

• output table: sum of cations and sum of anions
• hardness: TH, CH and NCH or PsH (pseudo Hardness)

vers 5.3 – Jan 2015

• total hardness (TH) and carbonate hardness (CH)
• output table: sorts cations, anions and neutral species by amount

vers 5.2 – Nov 2014

• scheme displays pe (redox potential)
• dissolution of CaCO3 in an “Open CO₂ System”
• output tables show CO2(g) and O2(g) in an “Open System”-calculation
• bugfix: multiple reactions with the same reactant is possible

vers 5.1 – Oct 2014

• input of Ca and Mg also in units ‘mg CaCO3/L’
• new reactants: sodium arsenates

vers 5.0 – Sep 2014

• graphical user interface (GUI) is conform with Windows 7 and higher
• first version of panel “Dosing of chemicals to adjust pH”

vers 4.13 – Aug 2014

• top menu bar for settings, extras, info
• reaction module with setup for open system for CO₂ and/or O₂

vers 4.12 – Aug 2014

• titration-plot diagrams with linear or logarithmic scale
• new minerals: mirabilite, thenardite, and several evaporites

vers 4.11 – Jul 2014

• sulfite chemistry implemented – S(4)
• new element: Hg

vers 4.10 – Jun 2014

• input of pCO2 for “Open CO₂ System”
• input of alkalinity as meq/L, ppm, or °dH

vers 4.9 – May 2014

• new layout for calcite saturation state
• new element: Cd

vers 4.8 – Apr 2014

• new layout for overview scheme
• button Details in overview scheme: shows largest changes in element concentrations

vers 4.7 – Apr 2014

• improved handling of titration calculations
• number of titration steps is variable
• new element: Mo
• cyanides, cyanates

vers 4.6 – Mar 2014

• titration-plot diagrams with variable x axis: pH, pe, EC, alkalinity
• additional calcite and phosphate minerals (vaterite, ikaite, …)

vers 4.5 – Mar 2014

• molar amount of minerals is displayed when minerals dissolve
• axis labels added to titration-plot diagrams

vers 4.4 – Feb 2014

• displays changes of DIC in open/closed CO₂ system
• bugfix: dissolution of minerals

vers 4.3 – Feb 2014

• new elements: Ni and Zn
• charge-balance error (CBE) with higher precision

vers 4.2 – Jan 2014

• redox species for As(3), As(5)
• redox species for Cu(1), Cu(2)
• redox species for Cr(2), Cr(3), Cr(6)
• redox species for Mn(2), Mn(3), Mn(6), Mn(7)

vers 4.1 – Jan 2014

• config panel for mineral phases
• input of redox potential (pe value)

vers 4.0 – Dec 2013

• mixing of two solutions