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Title: OS3D/GIMRT software for modeling multicomponent-multidimensional reactive transport

Abstract

OS3D/GIMRT is a numerical software package for simulating multicomponent reactive transport in porous media. The package consists of two principal components: (1) the code OS3D (Operator Splitting 3-Dimensional Reactive Transport) which simulates reactive transport by either splitting the reaction and transport steps in time, i.e., the classic time or operator splitting approach, or by iterating sequentially between reactions and transport, and (2) the code GIMRT (Global Implicit Multicomponent Reactive Transport) which treats up to two dimensional reactive transport with a one step or global implicit approach. Although the two codes do not yet have totally identical capabilities, they can be run from the same input file, allowing comparisons to be made between the two approaches in many cases. The advantages and disadvantages of the two approaches are discussed more fully below, but in general OS3D is designed for simulation of transient concentration fronts, particularly under high Peclet number transport conditions, because of its use of a total variation diminishing or TVD transport algorithm. GIMRT is suited for simulating water-rock alteration over long periods of time where the aqueous concentration field is at or close to a quasi-stationary state and the numerical transport errors are less important. Where water-rock interaction occursmore » over geological periods of time, GIMRT may be preferable to OS3D because of its ability to take larger time steps.« less

Authors:
;
Publication Date:
Research Org.:
Pacific Northwest National Lab., Richland, WA (US)
Sponsoring Org.:
US Department of Energy (US)
OSTI Identifier:
754946
Report Number(s):
PNNL-11166; 39KP00000
R&D Project: 15525; 39KP00000; TRN: AH200016%%77
DOE Contract Number:  
AC06-76RL01830
Resource Type:
Technical Report
Resource Relation:
Other Information: PBD: 17 May 2000
Country of Publication:
United States
Language:
English
Subject:
54 ENVIRONMENTAL SCIENCES; O CODES; G CODES; POROUS MATERIALS; MASS TRANSFER; ROCK-FLUID INTERACTIONS; ENVIRONMENTAL TRANSPORT

Citation Formats

CI Steefel, and SB Yabusaki. OS3D/GIMRT software for modeling multicomponent-multidimensional reactive transport. United States: N. p., 2000. Web. doi:10.2172/754946.
CI Steefel, & SB Yabusaki. OS3D/GIMRT software for modeling multicomponent-multidimensional reactive transport. United States. doi:10.2172/754946.
CI Steefel, and SB Yabusaki. Wed . "OS3D/GIMRT software for modeling multicomponent-multidimensional reactive transport". United States. doi:10.2172/754946. https://www.osti.gov/servlets/purl/754946.
@article{osti_754946,
title = {OS3D/GIMRT software for modeling multicomponent-multidimensional reactive transport},
author = {CI Steefel and SB Yabusaki},
abstractNote = {OS3D/GIMRT is a numerical software package for simulating multicomponent reactive transport in porous media. The package consists of two principal components: (1) the code OS3D (Operator Splitting 3-Dimensional Reactive Transport) which simulates reactive transport by either splitting the reaction and transport steps in time, i.e., the classic time or operator splitting approach, or by iterating sequentially between reactions and transport, and (2) the code GIMRT (Global Implicit Multicomponent Reactive Transport) which treats up to two dimensional reactive transport with a one step or global implicit approach. Although the two codes do not yet have totally identical capabilities, they can be run from the same input file, allowing comparisons to be made between the two approaches in many cases. The advantages and disadvantages of the two approaches are discussed more fully below, but in general OS3D is designed for simulation of transient concentration fronts, particularly under high Peclet number transport conditions, because of its use of a total variation diminishing or TVD transport algorithm. GIMRT is suited for simulating water-rock alteration over long periods of time where the aqueous concentration field is at or close to a quasi-stationary state and the numerical transport errors are less important. Where water-rock interaction occurs over geological periods of time, GIMRT may be preferable to OS3D because of its ability to take larger time steps.},
doi = {10.2172/754946},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2000},
month = {5}
}