Difference between revisions of "ISORROPIA II"

Revision as of 23:29, 28 January 2010

Overview

The ISORROPIA II package performs aerosol thermodynamical equilibrium ...

Authors and collaborators:

• Thanos Nenes (Georgia Tech) -- Principal Investigator
• Havala O. T. Pye (Caltech)

Implementation notes

As of Jan 27, 2010, ISORROPIA II is currently being implemented into GEOS-Chem v8-02-05 (version in testing).

Code structure

The main-level Code directory has now been divided into several subdirectories:

GeosCore/    GEOS-Chem "core" routines
GeosTomas/   Parallel copies of GEOS-Chem routines that reference TOMAS
GeosUtil/    "Utility" modules (e.g. error_mod.f, file_mod.f, time_mod.f, etc.
Headers/     Header files (define.h, CMN_SIZE, CMN_DIAG, etc.)
ISOROPIA/    Directory where ISORROPIA II code resides   
KPP/         KPP solver directory structure
bin/         Directory where executables are placed
doc/         Directory where documentation is created
help/        Directory for GEOS-Chem Help Screen
lib/         Directory where library files are placed
mod/         Directory where module files are placed
obsolete/    Directory where obsolete versions of code are archived

ISORROPIA II consists of the following files:

Files in ISOROPIA/ subdirectory:
---------------------------------
Makefile            Makefile for ISORROPIA II code
isoropiaIIcode.f    Source code file with ISORROPIA II routines
isrpia.inc          ISOROPIA II header file with common blocks

Files in GeosCore/ subdirectory:
--------------------------------
isoropiaII_mod.f    "Interface" code between GEOS-Chem and ISORROPIA II

Havala Pye (havala@caltech.edu) wrote:

Documentation (including a user manual) for ISORROPIAII can be found on the ISORROPIA website: ISORROPIA

isoropiaIIcode.f is essentially ISOFWD.FOR and ISOCOM.FOR of the ISORROPIAII box model pasted together

For more information on ISORROPIAII, see Fountoukis, C. and Nenes, A.: ISORROPIA II: a computationally efficient thermodynamic equilibrium model for K+–Ca2+–Mg2+–NH4+–Na+–SO42−–NO3−–Cl−–H2O aerosols, Atmos. Chem. Phys., 7, 4639-4659, 2007. pdf

The implementation by Pye et al. 2009 JGR did not include Ca, K, or Mg since dust emissions were not used.

TBA ...

Validation

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Previous issues now resolved

Outstanding issues

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