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% Generated by roxygen2: do not edit by hand
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% Please edit documentation in R/unit-converters-electrochemical.R
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\name{AVS2SHE}
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\alias{AVS2SHE}
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\title{AVS -> SHE}
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\usage{
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AVS2SHE(avs)
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}
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\arguments{
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\item{avs}{Potential in AVS scale}
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}
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\value{
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potential in SHE scale (numeric)
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}
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\description{
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Converts from absolute vacuum scale (AVS) to SHE scale
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}
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@ -1,21 +0,0 @@
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% Generated by roxygen2: do not edit by hand
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% Please edit documentation in R/unit-converters-electrochemical.R
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\name{ConvertRefPot}
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\alias{ConvertRefPot}
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\title{Convert from one electrochemical scale to another}
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\usage{
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ConvertRefPot(argpotential, argrefscale, valuerefscale)
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}
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\arguments{
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\item{argpotential}{potential (numeric)}
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\item{argrefscale}{input reference scale (char string)}
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\item{valuerefscale}{output reference scale (char string)}
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}
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\value{
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potential in output reference scale (numeric)
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}
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\description{
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Convert from one electrochemical scale to another
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}
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@ -1,25 +0,0 @@
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% Generated by roxygen2: do not edit by hand
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% Please edit documentation in R/unit-converters-electrochemical.R
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\name{ConvertRefPotEC}
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\alias{ConvertRefPotEC}
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\title{ConvertRefPotEC}
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\usage{
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ConvertRefPotEC(argpotential, argrefscale, valuerefscale)
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}
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\arguments{
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\item{argpotential}{potential (numeric)}
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\item{argrefscale}{input reference scale (character string)}
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\item{valuerefscale}{output reference scale (character string)}
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}
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\value{
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potential in output reference scale (numeric)
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}
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\description{
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This function does the heavy lifting.
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Converts from an electrochemical reference scale into another.
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SHE: standard hydrogen electrode
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Ag/AgCl: silver silver-chloride electrode (3M KCl)
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SCE: saturated calomel electrode
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}
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% Generated by roxygen2: do not edit by hand
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% Please edit documentation in R/chemistry-tools.R
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\name{OxygenSolubilityWater}
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\alias{OxygenSolubilityWater}
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\title{Oxygen solubility in water}
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\usage{
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OxygenSolubilityWater(temperature)
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}
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\arguments{
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\item{temperature}{numeric, vector. In degrees Celsius.}
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}
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\value{
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a dataframe with the following columns:
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+ "temperature" same as the supplied temperature
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+ "g/cm-3" oxygen solubility expressed as gram per cubic cm
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+ "mg/L" ditto expressed as milligram per litre
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+ "mol/L" ditto expressed as moles per litre (molarity)
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+ "permoleculewater" number of O2 molecules per molecule of water
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Note: mg/L is equivalent to ppm by weight (since water has approx
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unit density in the temperature range 0-50 Celsius).
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}
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\description{
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Oxygen solubility in water which is in contact with
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air saturated with water vapour, as a function of
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temperature and at a total pressure of 760 torr.
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}
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\details{
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Some background: as the temperature of a gasesous solution is raised the
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gas is driven off until complete degassing occurs at the boiling point
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of the solvent. This variation of solubility with temperature can be
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derived from thermodynamic first principles.
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But the variation of oxygen solubility in water cannot be represented by a
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simple relationship (derived from thermodynamic first principles), and so
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more complicated expressions which are fitted to empirical data have
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to be used.
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Hitchman, Measurement of Dissolved Oxygen, 1978 reproduce a table by
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Battino and Clever (1966) that presents experimental values of the
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so-called Bunsen absorption coefficient (this is the volume of gas, at 0 C
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and 760 torr, that, at the temperature of measurement, is dissolved in one
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volume of the solvent when the partial pressure of the gas is 760 torr)
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recorded by eleven research groups up until 1965. The standard error of the
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mean value is never greater +-0.5%. The mean values from this table are
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probably accurate enough for most applications.
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Hitchman notes that the data in this table can be fitted by two forms of
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equations: one form obtained from Henry's law (under the restriction that
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the partial pressure of the gas remains constant), and another form by
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describing the variation with temperature by fitting a general power series.
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The latter approach is used in this function.
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Hitchman chooses to fit a fourth degree polynomial, and found that the
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square of the correlation coefficient was 0.999996.
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For more background and detailed derivation of the formula used here,
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see section 2.2 (pp. 11) in Hitchman.
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This formula is strictly speaking only valid for 0 < T < 50 celsius.
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The function will return values outside this range, but with a warning.
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}
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\examples{
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\dontrun{
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OxygenSolubilityWater(22)
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OxygenSolubilityWater(c(2, 7, 12, 30))
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}
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}
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@ -1,24 +0,0 @@
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% Generated by roxygen2: do not edit by hand
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% Please edit documentation in R/unit-converters-electrochemical.R
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\name{RefCanonicalName}
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\alias{RefCanonicalName}
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\title{Get standardised name of reference electrode}
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\usage{
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RefCanonicalName(refname)
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}
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\arguments{
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\item{refname}{string or a vector of strings}
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}
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\value{
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vector with corresponding "canonical" name or empty string (if none found)
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}
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\description{
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Given a reference electrode label, this function returns its canonical name
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(as defined by this package).
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This function tries to match against as many variations as possible for each
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reference electrode.
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The entire point of this function is to decrease the mental load on the user
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by not requiring them to remember a particular label or name for each reference
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electrode, instead almost any sufficiently distinct label or string will still
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be correctly identified.
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}
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@ -1,17 +0,0 @@
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% Generated by roxygen2: do not edit by hand
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% Please edit documentation in R/unit-converters-electrochemical.R
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\name{SHE2AVS}
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\alias{SHE2AVS}
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\title{SHE -> AVS}
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\usage{
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SHE2AVS(she)
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}
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\arguments{
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\item{she}{Potential in SHE scale}
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}
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\value{
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potential in AVS scale (numeric)
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}
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\description{
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Converts from SHE scale to absolute vacuum (AVS) scale
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}
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@ -1,25 +0,0 @@
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% Generated by roxygen2: do not edit by hand
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% Please edit documentation in R/chemistry-tools.R
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\name{VapourPressureWater}
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\alias{VapourPressureWater}
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\title{Vapour pressure of water}
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\usage{
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VapourPressureWater(temperature)
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}
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\arguments{
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\item{temperature}{numeric vector, in degrees Celsius}
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}
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\value{
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vapour pressure of water, in kilopascal
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}
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\description{
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Vapour pressure of water as a function of temperature
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This function returns the vapour pressure of water at the given
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temperature(s) from the common::vapourwater dataset.
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}
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\examples{
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\dontrun{
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VapourPressureWater(45)
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VapourPressureWater(c(20, 25, 45, 60))
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}
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}
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@ -1,29 +0,0 @@
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% Generated by roxygen2: do not edit by hand
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% Please edit documentation in R/unit-converters-electrochemical.R
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\name{as.SHE}
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\alias{as.SHE}
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\title{Convert from electrochemical or physical scale to SHE}
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\usage{
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as.SHE(potential, scale, electrolyte = "", concentration = "saturated",
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temperature = 25, as.SHE.data = potentials.as.SHE())
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}
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\arguments{
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\item{potential}{potential in volt}
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\item{scale}{name of the original scale}
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\item{electrolyte}{optional, specify electrolyte solution, e.g., "KCl(aq)". Must match value in \code{as.SHE.data$electrolyte}.}
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\item{concentration}{of electrolyte in mol/L, or as the string "saturated"}
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\item{temperature}{of system in degrees Celsius}
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\item{as.SHE.data}{dataframe with dataset}
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}
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\value{
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potential in SHE scale
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}
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\description{
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Convert an arbitrary number of potentials against any known electrochemical
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scale (or the electronic vacuum scale) to potential vs SHE.
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}
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@ -1,30 +0,0 @@
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% Generated by roxygen2: do not edit by hand
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% Please edit documentation in R/unit-converters-electrochemical.R
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\name{from.SHE}
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\alias{from.SHE}
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\title{Convert from SHE scale to another electrochemical or physical scale}
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\usage{
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from.SHE(potential, scale, electrolyte = "", concentration = "saturated",
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temperature = 25, as.SHE.data = potentials.as.SHE())
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}
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\arguments{
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\item{potential}{potential in volt}
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\item{scale}{name of the target scale}
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\item{electrolyte}{optional, specify electrolyte solution, e.g., "KCl(aq)". Must match one of the values in \code{\link{potentials.as.SHE}$electrolyte}}
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\item{concentration}{of electrolyte in mol/L, or as the string "saturated"}
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\item{temperature}{of system in degrees Celsius}
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\item{as.SHE.data}{by default this parameter reads the full dataset \code{\link{potentials.as.SHE}}}
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}
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\value{
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potential in the specified target scale
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}
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\description{
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Convert an arbitrary number of potentials vs SHE to another electrochemical
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scale (or the vacuum scale).
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The available target scales are those listed by \code{\link{potentials.as.SHE}}.
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}
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@ -1,27 +0,0 @@
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% Generated by roxygen2: do not edit by hand
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% Please edit documentation in R/unit-converters-electrochemical.R
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\name{potentials.as.SHE}
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\alias{potentials.as.SHE}
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\title{Potentials as SHE}
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\usage{
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potentials.as.SHE()
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}
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\value{
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tidy dataframe with the following columns
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\tabular{ll}{
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\code{electrode} \tab reference electrode \cr
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\code{electrolyte} \tab electrolyte \cr
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\code{conc.num} \tab concentration of electrolyte, mol/L \cr
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\code{conc.string} \tab concentration of electrolyte, as string, may also note temperature at which conc \cr
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\code{temp} \tab temperature / degrees Celsius \cr
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\code{SHE} \tab potential vs SHE / volt \cr
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\code{sid} \tab set id, just for housekeeping inside this function \cr
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\code{reference} \tab BibTeX reference \cr
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\code{dEdT} \tab temperature coefficient / volt/kelvin \cr
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}
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}
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\description{
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This function just outputs a tidy dataframe with potential vs SHE for
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different scales, electrolytes, concentrations, and temperatures.
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Using data from literature.
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}
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@ -1,26 +0,0 @@
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% Generated by roxygen2: do not edit by hand
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% Please edit documentation in R/data.R
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\docType{data}
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\name{vapourwater}
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\alias{vapourwater}
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\title{Vapour pressure and other saturation properties of water}
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\format{A data frame with 189 rows and 4 variables:
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\describe{
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\item{temperature}{temperature/celsius}
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\item{pressure}{pressure/kilopascal}
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\item{enthalpy}{enthalpy of vapourisation/kilojoule per kilogram}
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\item{surfacetension}{surface tension/millinewton per metre}
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}}
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\source{
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Handbook of Chemistry and Physics, 94th ed., 6-10-90, Eric W. Lemmon.
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}
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\description{
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A dataset summarising vapour pressure, enthalpy of vapourisation,
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and surface tension of water from 0.01 Celsius to 373.95 Celsius.
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Data as accepted by the International Association for the Properties
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of Water and Steam for general scientific use.
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Source: CRC handbook, 94th ed., table 6-10-90, Eric W. Lemmon.
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}
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\author{
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Taha Ahmed
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}
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Loading…
Reference in New Issue