AQSysDOE {LLSR}

AQSysDOE

Description

The function uses a ATPS characterization data to build a Design Of Experiments (DOE) matrix based on Tie-Line Length (TLL) and Volume Ratio. see AQSysEval for more details.

Usage

AQSysDOE(
  dataSET,
  db = LLSR::llsr_data,
  slope = NULL,
  xmax = 100,
  modelName = "merchuk",
  nTL = 3,
  nPoints = 3,
  tol = 1e-05
)

Arguments

dataSET

- Binodal Experimental data that will be used in the nonlinear fit.

db

A highly structure db containing data from previously analyzed data. LLSR database is used by default but user may input his own db if formatted properly.

slope

The method assumes all tielines for a given ATPS are parallel, thus only one slope is required. [type:double]

xmax

Maximum value for the Horizontal axis' value (bottom-rich component). [type:double]

modelName

Character String specifying the nonlinear empirical equation to fit data. The default method uses Merchuk's equation. Other mathematical descriptors can be listed using AQSysList(). [type:string]

nTL

Number of tielines plotted for a given ATPS. Default is 3. [type:Integer]

nPoints

Number of points chosen for a given tieline. Default is 3. [type:Integer]

tol

limit of tolerance to reach to assume convergence. Default is 1e-5. [type:Integer]

Examples

# dataSET is a data.frame which contains series of Tieline's mass fraction
# and information
# from both components and #' # extraction conditions (T, pH). The function
# perform a system
# characterizaion based on data stored in LLSR's database
# (or provided by the user) 
# and then calculate a DOE based on the input.
## Not run: 
dataSET <- AQSearch.Binodal(db.uid='56b53a50f500c502fa4a65d197fc6d84')
ans <- AQSysDOE(dataSET2, nTL = 5, nPoints = 5)
View(ans$DOE)

## End(Not run)