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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>
+</div>
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