ChIN简介页:EPI Suite(与环境有关的物性估算程序包)
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EPI Suite(与环境有关的物性估算程序包)

【URL】 http://www.epa.gov/oppt/exposure/docs/episuite.htm

【作者】 EPA's Office of Pollution Prevention Toxics, Syracuse Research Corporation (SRC)

【下载】 http://www.epa.gov/oppt/exposure/docs/episuitedl.htm

【收费情况】  免费

【用途】 The EPI (Estimation Program Interface) Suite is a Windows based suite of physical/chemical property and environmental fate estimation models. EPI Suite uses a single input to run the following estimation models: KOWWIN, AOPWIN, HENRYWIN, MPBPWIN, BIOWIN, PCKOCWIN, WSKOWWIN, BCFWIN, HYDROWINTM, and STPWIN, WVOLWIN, and LEV3EPI. EPI Suite was previously called EPIWIN.

KOWWIN: Estimates the log octanol-water partition coefficient, log Kow, of chemicals using an atom/fragment contribution method.

AOPWIN: Estimates the gas-phase reaction rate for the reaction between the most prevalent atmospheric oxidant, hydroxyl radicals, and a chemical. Gas-phase ozone radical reaction rates are also estimated for olefins and acetylenes. In addition, AOPWIN informs the user if nitrate radical reaction will be important. Atmospheric half-lives for each chemical are automatically calculated using assumed average hydroxyl radical and ozone concentrations.

HENRYWIN: Calculates the Henry’s Law constant (air/water partition coefficient) using both the group contribution and the bond contribution methods.

MPBPWIN: Melting point, boiling point, and vapor pressure of organic chemicals are estimated using a combination of techniques.

BIOWIN: Estimates aerobic biodegradability of organic chemicals using 6 different models; two of these are the original Biodegradation Probability Program (BPP).

PCKOCWIN: The ability of a chemical to sorb to soil and sediment, its soil adsorption coefficient (Koc), is estimated by this program. EPI's Koc estimations are based on the Sabljic molecular connectivity method with improved correction factors.

WSKOWWIN: Estimates an octanol-water partition coefficient using the algorithms in the KOWWIN program and estimates a chemical’s water solubility from this value. This method uses correction factors to modify the water solubility estimate based on regression against log Kow.

HYDROWIN: Acid- and base-catalyzed hydrolysis constants for specific organic classes are estimated by HYDROWIN. A chemical’s hydrolytic half-life under typical environmental conditions is also determined. Neutral hydrolysis rates are currently not estimated.

BCFWIN: This program calculates the BioConcentration Factor and its logarithm from the log Kow. The methodology is analogous to that for WSKOWWIN. Both are based on log Kow and correction factors.

WVOLWIN: Estimates the rate of volatilization of a chemical from rivers and lakes; calculates the half-life for these two processes from their rates. The model makes certain default assumptions-water body depth; wind velocity; etc.

STPWIN: Using several outputs from EPIWIN, this program predicts the removal of a chemical in a Sewage Treatment Plant; values are given for the total removal and three contributing processes (biodegradation, sorption to sludge, and stripping to air.) for a standard system and set of operating conditions.

LEV3EPI: This level III fugacity model predicts partitioning of chemicals between air, soil, sediment, and water under steady state conditions for a default model "environment"; various defaults can be changed by the user.

【备注】
     For more information:

Dr. Gary Thom
U.S. Environmental Protection Agency
1200 Pennsylvania Ave., N.W. (Mail Code 7406M)
Washington, DC 20460
Phone # (202) 564-8537
e-mail:thom.gary@epa.gov

Dr. Philip Howard
Syracuse Research Corporation
6225 running Ridge Road
North Syracuse, NY 13212
(315) 452-8417
e-mail:howardp@syrres.com

【相关链接】
  Syracuse Research Corporation (SRC)


Summary by 李晓霞 on 2002-11-05

Last updated by 李晓霞 on 2002-11-05

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