ReacTran (version 1.4.3.1)

tran.volume.1D: 1-D, 2-D and 3-D Volumetric Advective-Diffusive Transport in an Aquatic System

Description

Estimates the volumetric transport term (i.e. the rate of change of the concentration due to diffusion and advection) in a 1-D, 2-D or 3-D model of an aquatic system (river, estuary).

Volumetric transport implies the use of flows (mass per unit of time) rather than fluxes (mass per unit of area per unit of time) as is done in tran.1D, tran.2D or tran.3D.

The tran.volume.xD routines are particularly suited for modelling channels (like rivers, estuaries) where the cross-sectional area changes, but where this area change needs not to be explicitly modelled as such.

Another difference with tran.1D is that the tran.volume.1D routine also allows lateral water or lateral mass input (as from side rivers or diffusive lateral ground water inflow).

The tran.volume.2D routine can check for water balance and assume an in- or efflux in case the net flows in and out of a box are not = 0

Usage

tran.volume.1D(C, C.up = C[1], C.down = C[length(C)],
               C.lat = C, F.up = NULL, F.down = NULL, F.lat = NULL,
               Disp,	flow = 0, flow.lat = NULL, AFDW = 1,
               V = NULL, full.check = FALSE, full.output = FALSE)
tran.volume.2D(C, C.x.up = C[1, ], C.x.down = C[nrow(C), ], 
               C.y.up = C[, 1], C.y.down = C[, ncol(C)], 
               C.z = C, masscons = TRUE, 
               F.x.up = NULL, F.x.down = NULL, 
               F.y.up = NULL, F.y.down = NULL, 
               Disp.grid = NULL, Disp.x = NULL, Disp.y = Disp.x, 
               flow.grid = NULL, flow.x = NULL, flow.y = NULL, 
               AFDW.grid = NULL, AFDW.x = 1, AFDW.y = AFDW.x,         
               V = NULL, full.check = FALSE, full.output = FALSE) 
tran.volume.3D(C,  C.x.up = C[1, , ], C.x.down = C[dim(C)[1], , ],                
               C.y.up = C[, 1, ], C.y.down = C[, dim(C)[2], ], 
               C.z.up = C[, , 1], C.z.down = C[, , dim(C)[3]], 
               F.x.up = NULL, F.x.down = NULL,  
               F.y.up = NULL, F.y.down = NULL, 
               F.z.up = NULL, F.z.down = NULL,         
               Disp.grid = NULL, 
               Disp.x = NULL, Disp.y = Disp.x, Disp.z = Disp.x,      
               flow.grid = NULL, flow.x = 0, flow.y = 0, flow.z = 0, 
               AFDW.grid = NULL, AFDW.x = 1, AFDW.y = AFDW.x, 
               AFDW.z = AFDW.x,                 
               V = NULL, full.check = FALSE, full.output = FALSE)

Value

dC

the rate of change of the concentration C due to transport, defined in the centre of each grid cell [M/L3/T].

F.up

mass flow across the upstream boundary, positive = INTO model domain. One value [M/T].

F.down

mass flow across the downstream boundary, positive = OUT of model domain. One value [M/T].

F.lat

lateral mass input per volume box, positive = INTO model domain. A vector of length N [M/T].

flow

water flow across the interface of each grid cell. A vector of length N+1 [L3/T]. Only provided when (full.output = TRUE

flow.up

water flow across the upstream (external) boundary, positive = INTO model domain. One value [L3/T]. Only provided when (full.output = TRUE)

flow.down

water flow across the downstream (external) boundary, positive = OUT of model domain. One value [L3/T]. Only provided when (full.output = TRUE)

flow.lat

lateral water input on each volume box, positive = INTO model domain. A vector of length N [L3/T]. Only provided when (full.output = TRUE)

F

mass flow across at the interface of each grid cell. A vector of length N+1 [M/T]. Only provided when (full.output = TRUE)

Arguments

C

tracer concentration, defined at the centre of the grid cells. A vector of length N [M/L3] (tran.volume.1D), a matrix of dimension Nr*Nc (tran.volume.2D) or an Nx*Ny*Nz array (tran.volume.3D) [M/L3].

C.up

tracer concentration at the upstream interface. One value [M/L3].

C.down

tracer concentration at downstream interface. One value [M/L3].

C.lat

tracer concentration in the lateral input, defined at grid cell centres. One value, a vector of length N, or a list as defined by setup.prop.1D [M/L3]. The default is C.lat = C, (a zero-gradient condition). Setting C.lat=0, together with a positive F.lat will lead to dilution of the tracer concentration in the grid cells.

C.x.up

concentration at upstream boundary in x-direction; vector of length Ny (2D) or matrix of dimensions Ny*Nz (3D) [M/L3].

C.x.down

concentration at downstream boundary in x-direction; vector of length Ny (2D) or matrix of dimensions Ny*Nz (3D) [M/L3].

C.y.up

concentration at upstream boundary in y-direction; vector of length Nx (2D) or matrix of dimensions Nx*Nz (3D) [M/L3].

C.y.down

concentration at downstream boundary in y-direction; vector of length Nx (2D) or matrix of dimensions Nx*Nz (3D) [M/L3].

C.z.up

concentration at upstream boundary in z-direction; matrix of dimensions Nx*Ny [M/L3].

C.z.down

concentration at downstream boundary in z-direction; matrix of dimensions Nx*Ny [M/L3].

C.z

concentration at boundary in z-direction for 2-D models where masscons = TRUE. Matrix of dimensions Nx*Ny [M/L3].

masscons

When TRUE, will check flow balance in 2D model. The flow in the third direction will then be estimated.

F.up

total tracer input at the upstream interface. One value [M/T].

F.down

total tracer input at downstream interface. One value [M/T].

F.lat

total lateral tracer input, defined at grid cell centres. One value, a vector of length N, or a 1D list property as defined by setup.prop.1D,[M/T].

F.x.up

total tracer input at the upstream interface in x-direction. positive = INTO model domain. A vector of length Ny (2D) or a matrix of dimensions Ny*Nz (3D) [M/T].

F.x.down

total tracer input at downstream interface in x-direction. positive = INTO model domain. A vector of length Ny (2D) or a matrix of dimensions Ny*Nz (3D) [M/T].

F.y.up

total tracer input at the upstream interface in y-direction. positive = INTO model domain. A vector of length Nx (2D) or a matrix of dimensions Nx*Nz (3D) [M/T].

F.y.down

total tracer input at downstream interface in y-direction. positive = INTO model domain. A vector of length Nx (2D) or a matrix of dimensions Nx*Nz (3D) [M/T].

F.z.up

total tracer input at the upstream interface in z-direction. positive = INTO model domain. A matrix of dimensions Nx*Ny [M/T].

F.z.down

total tracer input at downstream interface in z-direction. positive = INTO model domain. A matrix of dimensions Nx*Ny [M/T].

Disp.grid

BULK dispersion coefficients defined on all grid cell interfaces. For tran.volume.2D, should contain two matrices, x.int (dimension (Nx+1)*Ny) and y.int (dimension Nx * (Ny+1)). For tran.volume.3D should contain three arrays x.int (dim = (Nx+1)*Ny*Nz), y.int (dim = Nx*(Ny+1)*Nz), and z.int (dim = Nx*Ny*(Nz+1))

Disp

BULK dispersion coefficient, defined on grid cell interfaces. One value, a vector of length N+1, or a 1D list property as defined by setup.prop.1D [L3/T].

Disp.x

BULK dispersion coefficient in x-direction, defined on grid cell interfaces. One value, a vector of length (Nx+1), a prop.1D list created by setup.prop.1D, a (Nx+1)* Ny matrix (2D) or a Nx*(Ny+1)*Nz array (3D) [L3/T].

Disp.y

BULK dispersion coefficient in y-direction, defined on grid cell interfaces. One value, a vector of length (Ny+1), a prop.1D list created by setup.prop.1D, or a Nx*(Ny+1) matrix (2D) or a Nx*(Ny+1)*Nz array (3D)[L3/T].

Disp.z

BULK dispersion coefficient in z-direction, defined on grid cell interfaces. One value, a vector of length (Nz+1), or a Nx*Ny*(Nz+1) array [L3/T].

flow

water flow rate, defined on grid cell interfaces. One value, a vector of length N+1, or a list as defined by setup.prop.1D [L3/T]. If flow.lat is not NULL the flow should be one value containing the flow rate at the upstream boundary. If flow.lat is NULL then flow can be either one value, a vector or a list.

flow.lat

lateral water flow rate [L3/T] into each volume box, defined at grid cell centres. One value, a vector of length N, or a list as defined by setup.prop.1D. If flow.lat has a value, then flow should be the flow rate at the upstream interface (one value). For each grid cell, the flow at the downstream side of a grid cell is then estimated by water balance (adding flow.lat in the cell to flow rate at the upstream side of the grid cell). If flow.lat is NULL, then it is determined by water balance from flow.

flow.grid

flow rates defined on all grid cell interfaces. Can be positive (downstream flow) or negative (upstream flow). Should contain elements x.int, y.int, z.int (3-D), arrays with the values on the interfaces in x, y and z-direction [L3/T].

flow.x

flow rates in the x-direction, defined on grid cell interfaces. Can be positive (downstream flow) or negative (upstream flow). One value, a vector of length (Nx+1), a prop.1D list created by setup.prop.1D (2D), a (Nx+1)*Ny matrix (2D) or a (Nx+1)*Ny*Nz array (3D) [L3/T].

flow.y

flow rates in the y-direction, defined on grid cell interfaces. Can be positive (downstream flow) or negative (upstream flow). One value, a vector of length (Ny+1), a prop.1D list created by setup.prop.1D (2D), a Nx*(Ny+1) matrix (2D) or a Nx*(Ny+1)*Nz array [L3/T].

flow.z

flow rates in the z-direction, defined on grid cell interfaces. Can be positive (downstream flow) or negative (upstream flow). One value, a vector of length (Nz+1), or a Nx*Ny*(Nz+1) array [L3/T].

AFDW

weight used in the finite difference scheme for advection, defined on grid cell interfaces; backward = 1, centred = 0.5, forward = 0; default is backward. One value, a vector of length N+1, or a list as defined by setup.prop.1D [-].

AFDW.grid

weight used in the finite difference scheme for advection in the x-direction, defined on grid cell interfaces; backward = 1, centred = 0.5, forward = 0; default is backward. For tran.volume.3D should contain elements x.int, y.int, z.int (3D), for tran.volume.2D should contain elements x.int and y.int. [-].

AFDW.x

weight used in the finite difference scheme for advection in the x-direction, defined on grid cell interfaces; backward = 1, centred = 0.5, forward = 0; default is backward. One value, a vector of length (Nx+1), a prop.1D list created by setup.prop.1D, a (Nx+1)*Ny matrix (2D) or a (Nx+1)*Ny*Nz array (3D) [-].

AFDW.y

weight used in the finite difference scheme for advection in the y-direction, defined on grid cell interfaces; backward = 1, centred = 0.5, forward = 0; default is backward. One value, a vector of length (Ny+1), a prop.1D list created by setup.prop.1D, a Nx*(Ny+1) matrix (2D) or a Nx*(Ny+1)*Nz array [-].

AFDW.z

weight used in the finite difference scheme for advection in the z-direction, defined on grid cell interfaces; backward = 1, centred = 0.5, forward = 0; default is backward. One value, a vector of length (Nz+1), a prop.1D list created by setup.prop.1D, or a Nx*Ny*(Nz+1) array [-].

V

grid cell volume, defined at grid cell centres [L3]. One value, a vector of length N, or a list as defined by setup.prop.1D.

full.check

logical flag enabling a full check of the consistency of the arguments (default = FALSE; TRUE slows down execution by 50 percent).

full.output

logical flag enabling a full return of the output (default = FALSE; TRUE slows down execution by 20 percent).

Author

Filip Meysman <[e-mail]>, Karline Soetaert <[e-mail]>

Details

The boundary conditions are of type

• 1. zero-gradient (default)

• 2. fixed concentration

• 3. fixed input

The bulk dispersion coefficient (Disp) and the flow rate (flow) can be either one value or a vector of length N+1, defined at all grid cell interfaces, including upstream and downstream boundary.

The spatial discretisation is given by the volume of each box (V), which can be one value or a vector of length N+1, defined at the centre of each grid cell.

The water flow is mass conservative. Over each volume box, the routine calculates internally the downstream outflow of water in terms of the upstream inflow and the lateral inflow.

References

Soetaert and Herman (2009) A practical guide to ecological modelling - using R as a simulation platform. Springer.

See Also

tran.1D

advection.volume.1D, for more sophisticated advection schemes

Examples

## =============================================================================
##  EXAMPLE : organic carbon (OC) decay in a widening estuary
## =============================================================================

# Two scenarios are simulated: the baseline includes only input 
# of organic matter upstream. The second scenario simulates the 
# input of an important side river half way the estuary.  

#====================#
# Model formulation  #
#====================#

river.model <- function (t = 0, OC, pars = NULL) {

  tran <- tran.volume.1D(C = OC, F.up = F.OC, F.lat = F.lat,
          Disp = Disp, flow = flow.up, flow.lat = flow.lat, 
          V = Volume, full.output = TRUE) 

  reac <- - k*OC
  return(list(dCdt = tran$dC + reac, Flow = tran$flow))
}

#======================#
# Parameter definition #
#======================#

# Initialising morphology estuary: 

nbox          <- 500     # number of grid cells
lengthEstuary <- 100000  # length of estuary [m]
BoxLength     <- lengthEstuary/nbox # [m]
Distance      <- seq(BoxLength/2, by = BoxLength, len =nbox) # [m]
Int.Distance  <- seq(0, by = BoxLength, len = (nbox+1))      # [m]

# Cross sectional area: sigmoid function of estuarine distance [m2]
CrossArea <- 4000 + 72000 * Distance^5 /(Distance^5+50000^5)

# Volume of boxes                          (m3)
Volume  <- CrossArea*BoxLength

# Transport coefficients
Disp    <- 1000   # m3/s, bulk dispersion coefficient
flow.up  <- 180    # m3/s, main river upstream inflow
flow.lat.0  <- 180    # m3/s, side river inflow

F.OC    <- 180               # input organic carbon [mol s-1]
F.lat.0 <- 180              # lateral input organic carbon [mol s-1]

k       <- 10/(365*24*3600)  # decay constant organic carbon [s-1]


#====================#
# Model solution     #
#====================#
#scenario 1: without lateral input
F.lat    <- rep(0, length.out = nbox)
flow.lat <- rep(0, length.out = nbox)

Conc1 <- steady.1D(runif(nbox), fun = river.model, nspec = 1, name = "OC")   

#scenario 2: with lateral input
F.lat <- F.lat.0 * dnorm(x =Distance/lengthEstuary,
                         mean = Distance[nbox/2]/lengthEstuary, 
                         sd = 1/20, log = FALSE)/nbox 
flow.lat <- flow.lat.0 * dnorm(x = Distance/lengthEstuary,
                               mean = Distance[nbox/2]/lengthEstuary, 
                               sd = 1/20, log = FALSE)/nbox 

Conc2 <- steady.1D(runif(nbox), fun = river.model, nspec = 1, name = "OC")   

#====================#
# Plotting output    #
#====================#
# use S3 plot method
plot(Conc1, Conc2, grid = Distance/1000, which = "OC", 
     mfrow = c(2, 1), lwd = 2, xlab = "distance [km]", 
     main = "Organic carbon decay in the estuary",
     ylab = "OC Concentration [mM]")
       
plot(Conc1, Conc2, grid = Int.Distance/1000, which = "Flow", 
     mfrow = NULL, lwd = 2, xlab = "distance [km]", 
     main = "Longitudinal change in the water flow rate",
     ylab = "Flow rate [m3 s-1]")  

legend ("topright", lty = 1:2, col = 1:2, lwd = 2,
        c("baseline", "+ side river input"))