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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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|
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\item{argrefscale}{input reference scale (char string)} |
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|
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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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|
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\item{argrefscale}{input reference scale (character string)} |
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|
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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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@ -1,65 +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{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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|
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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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|
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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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|
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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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|
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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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% 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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% 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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|
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\item{scale}{name of the original scale} |
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|
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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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|
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\item{concentration}{of electrolyte in mol/L, or as the string "saturated"} |
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|
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\item{temperature}{of system in degrees Celsius} |
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|
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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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|
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\item{scale}{name of the target scale} |
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|
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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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|
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\item{concentration}{of electrolyte in mol/L, or as the string "saturated"} |
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|
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\item{temperature}{of system in degrees Celsius} |
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|
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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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Reference in new issue