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Title: eSTOMP-WR

Abstract

The eSTOMP-WR mode is designed to efficiently simulate isothermal variably saturated flow (Richards Equation) and multicomponent reactions in porous media on the most powerful computers available.

Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE
Contributing Org.:
Battelle Memorial Institute, Pacific Northwest Division (PNNL)
OSTI Identifier:
1344300
Report Number(s):
eSTOMP; 005162WKSTN00
Battelle IPID 31086-E
DOE Contract Number:
AC05-76RL01830
Resource Type:
Software
Software Revision:
00
Software Package Number:
005162
Software CPU:
WKSTN
Open Source:
Yes
Available at http://stomp.pnnl.gov/capabilities/op_modes.stm as well as PNNL Github site.
Source Code Available:
Yes
Other Software Info:
Open Source distribution; other modes may be made available.
Related Software:
Fortran-95 MPI PETSc MPI
Country of Publication:
United States

Citation Formats

. eSTOMP-WR. Computer software. https://www.osti.gov//servlets/purl/1344300. Vers. 00. USDOE. 17 Feb. 2017. Web.
. (2017, February 17). eSTOMP-WR (Version 00) [Computer software]. https://www.osti.gov//servlets/purl/1344300.
. eSTOMP-WR. Computer software. Version 00. February 17, 2017. https://www.osti.gov//servlets/purl/1344300.
@misc{osti_1344300,
title = {eSTOMP-WR, Version 00},
author = {},
abstractNote = {The eSTOMP-WR mode is designed to efficiently simulate isothermal variably saturated flow (Richards Equation) and multicomponent reactions in porous media on the most powerful computers available.},
url = {https://www.osti.gov//servlets/purl/1344300},
doi = {},
year = {Fri Feb 17 00:00:00 EST 2017},
month = {Fri Feb 17 00:00:00 EST 2017},
note =
}

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  • The Process Guidelines for Sandia WR Software Development define a general software methodology. This document provides a standard software development process for WR, and ''WR like'', programs. The guidelines are based on the Sandia Software Guidelines, the IEEE Software Engineering Standards, and the Sandia Engineering Procedures.
  • Three compounds were tested for their radioprotective properties against the effects of 4 MeV X rays or fission neutron irradiation. The endpoints tested were lethality, intestinal crypt survival, and DNA synthesizing cellularity. Two of the compounds tested; S-2(4-aminobutylamino) ethylphosphorothioc acid (WR 2822) and the aminopentylamino derivative (WR 109342). All drugs were administered via intraperitoneal injections at their approximately maximum tolerated dose. WR 2822 was shown to have a slight protective effect against X rays and neutrons. The dose modification factor (DMF) for gastrointestinal death (LD/sub 50(6)/) was 1.23 for X rays and 1.51 for neutrons. The assay for intestinal cryptmore » survival produced DMF's of 1.44 (X rays) and 1.4 (neutrons). WR 2823 also showed a protective action in these assays. The DMF for LD/sub 50(6)/ was 1.32 (X rays) and 1.42 (neutrons). WR 109342 was found to be extremely toxic and had no significant protective effects. All three drugs were more toxic and demonstrated less protection in most of these assays than the benchmark radioprotective agent WR 2721, although WR 2822 protected against lethal effects of fission neutrons almost as well as WR 2721. Both WR 2822 and WR 2823 produced greater protection in the crypt survival assays for fission neutron irradiation than WR 2721.« less
  • Alkaline phosphatase was used in developing two new assays for WR-2721; one involved simple spectrophotometric titration with Ellman's reagent and the other was based upon HPLC analysis of a monobromobimane derivative. Both methods have acceptable results when applied to whole plasma. Assays for WR-1065 and disulfide forms of the drug were also developed but were found to give unreliable results with whole plasma owing to apparent rapid reaction of these drug forms with plasma constituents. The methods were applied to the analysis of blood samples in rat 0-70 min after i.v. injection of WR-2721.

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