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CHNOSZ is an R package for thermodynamic calculations and diagrams.

The primary development site is now on GitHub. The original R-Forge repository is updated less frequently.

Please see the CHNOSZ website for more information.

For questions about CHNOSZ, please use the Discussions forum on GitHub.

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Version

Install

install.packages('CHNOSZ')

Monthly Downloads

1,110

Version

2.3.0

License

GPL-3

Maintainer

Jeffrey Dick

Last Published

August 31st, 2026

Functions in CHNOSZ (2.3.0)

Berman

Thermodynamic properties of minerals
add.OBIGT

Functions to Work with the Thermodynamic Database
CHNOSZ-package

Thermodynamic calculations and diagrams for geochemistry
EOSregress

Regress equations-of-state parameters for aqueous species
affinity

Chemical affinities of formation reactions
IAPWS95

Properties of water from IAPWS-95
DEW

Deep Earth Water (DEW) model
add.protein

Amino acid compositions of proteins
NaCl

Simple NaCl-water solution model
JANAF.to.OBIGT

Import thermodynamic data from NIST-JANAF tables
equilibrate

Equilibrium chemical activities of species
basis

Define basis species
mix

Combine diagrams for multi-metal systems
logK.to.OBIGT

Fit thermodynamic parameters to formation constants (log K)
makeup

Parse chemical formulas
ionize.aa

Properties of ionization of proteins
examples

Run package examples and demos
diagram

Chemical activity diagrams
extdata

Extra data
info

Search the thermodynamic database
nonideal

Activity coefficients of aqueous species
palply

Conditional parallel processing
species

Species of interest
retrieve

Retrieve species by element
phosphorylate

Calculate affinity of phosphorylation reactions with pH-dependent speciation
solubility

Equilibrium chemical activities of species
mosaic

Chemical affinities with changing basis species
mod.buffer

Calculating buffered chemical activities
rank.affinity

Average ranks of chemical affinities
protein.info

Summaries of thermodynamic properties of proteins
util.data

Functions for checking thermodynamic data
util.array

Functions to work with multidimensional arrays
stack_mosaic

Stacked mosaic diagram
subcrt

Properties of species and reactions
thermo.plot

Functions to create and modify plots
thermo

Thermodynamic database and system settings
taxonomy

Extract data from NCBI taxonomy files
swap.basis

Swap basis species
util.formula

Functions to work with chemical formulas
util.expression

Functions to express chemical formulas and properties
util.units

Functions to convert units
util.water

Functions for properties of water and steam
water

Properties of water
util.misc

Functions for miscellaneous tasks
util.seq

Functions to work with sequence data
util.plot

Utility functions for plots
util.legend

Functions to make legend text
util.list

Functions to work with lists
util.protein

Functions for proteins (other calculations)