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-<title>PEC_soil. pfm 0.3-7</title>
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-Johannes Ranke
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-
- <h1>Calculate predicted environmental concentrations in soil</h1>
-
-<div class="row">
- <div class="span8">
- <h2>Usage</h2>
- <pre><div>PEC_soil(rate, rate_units&nbsp;=&nbsp;"g/ha", interception&nbsp;=&nbsp;0, mixing_depth&nbsp;=&nbsp;5, PEC_units&nbsp;=&nbsp;"mg/kg", PEC_pw_units&nbsp;=&nbsp;"mg/L", interval&nbsp;=&nbsp;NA, n_periods&nbsp;=&nbsp;Inf, tillage_depth&nbsp;=&nbsp;20, chent&nbsp;=&nbsp;NA, DT50&nbsp;=&nbsp;NA, Koc&nbsp;=&nbsp;NA, Kom&nbsp;=&nbsp;Koc/1.724, t_avg&nbsp;=&nbsp;0, scenarios&nbsp;=&nbsp;c("default", "EFSA_2015"), porewater&nbsp;=&nbsp;FALSE)</div></pre>
-
- <h2>Arguments</h2>
- <dl>
- <dt>rate</dt>
- <dd>Application rate in units specified below</dd>
- <dt>rate_units</dt>
- <dd>Defaults to g/ha</dd>
- <dt>interception</dt>
- <dd>The fraction of the application rate that does not reach the soil</dd>
- <dt>mixing_depth</dt>
- <dd>Mixing depth in cm</dd>
- <dt>PEC_units</dt>
- <dd>Requested units for the calculated PEC. Only mg/kg currently supported</dd>
- <dt>PEC_pw_units</dt>
- <dd>Only mg/L currently supported</dd>
- <dt>interval</dt>
- <dd>Period of the deeper mixing, defaults to 365, which is a year if
-rate units are in days</dd>
- <dt>n_periods</dt>
- <dd>Number of periods to be considered for long term PEC calculations</dd>
- <dt>tillage_depth</dt>
- <dd>Periodic (see interval) deeper mixing in cm</dd>
- <dt>chent</dt>
- <dd>An optional chent object holding substance specific information. Can
-also be a name for the substance as a character string</dd>
- <dt>DT50</dt>
- <dd>If specified, overrides soil DT50 endpoints from a chent object
-If DT50 is not specified here and not available from the chent object, zero
-degradation is assumed</dd>
- <dt>Koc</dt>
- <dd>If specified, overrides Koc endpoints from a chent object</dd>
- <dt>Kom</dt>
- <dd>Calculated from Koc by default, but can explicitly be specified
-as Kom here</dd>
- <dt>t_avg</dt>
- <dd>Averaging times for time weighted average concentrations</dd>
- <dt>scenarios</dt>
- <dd>If this is 'default', the DT50 will be used without correction
-and soil properties as specified in the REACH guidance (R.16, Table
-R.16-9) are used for porewater PEC calculations. If this is "EFSA_2015",
-the DT50 is taken to be a modelling half-life at 20°C and pF2 (for when
-'chents' is specified, the DegT50 with destination 'PECgw' will be used),
-and corrected using an Arrhenius activation energy of 65.4 kJ/mol. Also
-model and scenario adjustment factors from the EFSA guidance are used.</dd>
- <dt>porewater</dt>
- <dd>Should equilibrium porewater concentrations be estimated
-based on Kom and the organic carbon fraction of the soil instead of total
-soil concentrations? Based on equation (7) given in the PPR panel opinion
-(EFSA 2012, p. 24) and the scenarios specified in the EFSA guidance (2015,
-p. 13).</dd>
- </dl>
-
- <div class="Value">
- <h2>Value</h2>
-
- <p><dl>
-The predicted concentration in soil
-</dl></p>
-
- </div>
-
- <div class="Description">
- <h2>Description</h2>
-
- <p>This is a basic calculation of a contaminant concentration in bulk soil
-based on complete, instantaneous mixing. If an interval is given, an
-attempt is made at calculating a long term maximum concentration using
-the concepts layed out for example in the PPR panel opinion (EFSA 2012).</p>
-
- </div>
-
- <div class="Details">
- <h2>Details</h2>
-
- <p>This assumes that the complete load to soil during the time specified by
-'interval' (typically 365 days) is dosed at once. As in the PPR panel
-opinion cited below (PPR panel 2012), only temperature correction using the
-Arrhenius equation is performed.</p>
-
- <p>Total soil and porewater PEC values for the scenarios as defined in the EFSA
-guidance (2015, p. 13) can easily be calculated.</p>
-
- </div>
-
- <div class="Note">
- <h2>Note</h2>
-
- <p>If temperature information is available in the selected scenarios, as
- e.g. in the EFSA scenarios, the DT50 for groundwater modelling
- (destination 'PECgw') is taken from the chent object, otherwise the DT50
- with destination 'PECsoil'.</p>
-
- </div>
-
- <div class="References">
- <h2>References</h2>
-
- <p>EFSA Panel on Plant Protection Products and their Residues (2012)
- Scientific Opinion on the science behind the guidance for scenario
- selection and scenario parameterisation for predicting environmental
- concentrations of plant protection products in soil. <em>EFSA Journal</em>
- <b>10</b>(2) 2562, doi:10.2903/j.efsa.2012.2562</p>
-
- <p>EFSA (European Food Safety Authority) (2015) EFSA guidance document for
- predicting environmental concentrations of active substances of plant
- protection products and transformation products of these active substances
- in soil. <em>EFSA Journal</em> <b>13</b>(4) 4093
- doi:10.2903/j.efsa.2015.4093</p>
-
- </div>
-
- <h2 id="examples">Examples</h2>
- <pre class="examples"><div class='input'>PEC_soil(100, interception = 0.25)
-</div>
-<div class='output'> scenario
-t_avg default
- 0 0.1
-</div>
-<div class='input'>
-# This is example 1 starting at p. 79 of the EFSA guidance (2015)
-PEC_soil(1000, interval = 365, DT50 = 250, t_avg = c(0, 21),
- scenarios = &quot;EFSA_2015&quot;)
-</div>
-<div class='output'> scenario
-t_avg CTN CTC CTS
- 0 21.96827 11.53750 9.145259
- 21 21.78517 11.40701 9.017370
-</div>
-<div class='input'>PEC_soil(1000, interval = 365, DT50 = 250, t_av = c(0, 21),
- Kom = 1000, scenarios = &quot;EFSA_2015&quot;, porewater = TRUE)
-</div>
-<div class='output'> scenario
-t_avg CLN CLC CLS
- 0 0.7589401 0.6674322 0.9147861
- 21 0.7506036 0.6590345 0.8987279
-</div>
-<div class='input'>
-# The following is from example 4 starting at p. 85 of the EFSA guidance (2015)
-# Metabolite M2
-# Calculate total and porewater soil concentrations for tier 1 scenarios
-# Relative molar mass is 100/300, formation fraction is 0.7 * 1
-results_pfm &lt;- PEC_soil(100/300 * 0.7 * 1 * 1000, interval = 365, DT50 = 250, t_avg = c(0, 21),
- scenarios = &quot;EFSA_2015&quot;)
-results_pfm_pw &lt;- PEC_soil(100/300 * 0.7 * 1000, interval = 365, DT50 = 250, t_av = c(0, 21),
- Kom = 100, scenarios = &quot;EFSA_2015&quot;, porewater = TRUE)
-</div></pre>
- </div>
- <div class="span4">
- <!-- <ul>
- <li>PEC_soil</li>
- </ul>
- <ul>
-
- </ul> -->
-
-
- <h2>Author</h2>
-
-Johannes Ranke
-
-
- </div>
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