Course Overview

October 2 to noon October 4, 2024 (2.5 days)

This course will introduce the powerful capacity of PHREEQC (PH REdox EQuilibrium [in C language]) for modeling practical hydrogeochemical problems. Course lectures will provide an overview of important geochemical processes in water quality and how they can be modeled. Computer exercises will form an integral part of the course.

There is limited space available for the PHREEQC geochemical modeling course. After the first 25 attendees, participants will be placed on a waitlist.

PHREEQC AND BEYOND Course Outline

October 2nd (Day 1): Morning

Introduction to PHREEQC

  • Thermodynamics of Solutions
  • Solute activities: Ion association and Pitzer
  • Molar volumes
  • Viscosity
  • Diffusion coefficients

KEYWORD: SOLUTION

  • Units, pH, pe, Alkalinity
  • Exercise: Specific conductance
  • Saturation Indices and Mineral Equilibria
  • Exercise: Madison Aquifer
  • Useful minerals

KEYWORDS: EQUILIBRIUM_PHASES, REACTION, USER_GRAPH

  • Exercise: Dedolomitization

October 2nd (Day 1): Afternoon

KEYWORDS: ION EXCHANGE and SURFACE

  • Exchange equations in databases
  • Surface complexation models and databases
  • Exercise: Ion exchange
  • Exercise: Surface complexation
  • Exercise: Sorption isotherms

October 3rd (Day 2): Morning

KEYWORD: KINETICS and RATES

  • Kinetic processes
  • Rate equations
  • Exercise: Kinetic degradation of organic matter: NO3, Fe(OH)3, and SO4 reduction
  • Exercise: Kinetic reaction of silicates
  • Exercise: Incorporating rates with a subroutine using tabulated data from compilations

October 3rd (Day 2): Afternoon

KEYWORD: TRANSPORT

  • Sharpening, indifferent, and broadening transport fronts
  • Additional transport processes
  • Dual porosity effects
  • Electro migration
  • Remediation
  • Exercise: Isotherm slope determines front form
  • Exercise: Ion chromatography by ion exchange
  • Exercise: Dual porosity effects with sorption (organic chemicals, PFAS) and decay (14C)
  • Exercise: MAR/ASR with in-situ iron removal and behavior of arsenic
  • Alternative Exercises: ASR; Arsenic or Uranium; Redox systems- Oxic, sulfidic, methanic, gas bubbles; CO2 sequestration

October 4th (Day 3): Morning

PHREEQC Extensions

  • IPhreeqc
  • R, Matlab, Python
  • PHREEPLOT
  • Basic Model Interface PhreeqcRM: C++, Fortran, Python, C

3D Reactive-Transport Codes

  • Codes using PhreeqcRM
  • PHAST/Phast4Windows
  • Exercise: Uranium
  • Exercise: Cape Cod Phosphorus Transport
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