ROSSpy parameter files

Simulation parameters may be more succinctly provided through JSON files, which are imported by the code through identified function arguments, than through dictionaries that are passed as function arguments. Argument parameters can be used synergistically by supplanting specific characteristics that are different in the parameter files.

ro_module

The RO module characteristics can be provided through ro_module.json. The default entry embodies the DOW FILMTEC BW30-400 RO module; however, other modules can be defined by emulating the structure of the default entry, where each characteristic possesses the respective units in the key name:

{
   "BW30-400":{
       "module_diameter_mm": {
           "value": 201
       },
       "permeate_tube_diameter_mm": {
           "value": 29
       },
       "module_length_m": {
           "value": 1.016
       },
       "permeate_flow_m3_per_hour": {
           "value": 1.667
       },
       "max_feed_flow_m3_per_hour": {
           "value": 15.9
       },
       "feed_thickness_mm": {
           "value": 0.8636
       },
       "active_m2": {
           "value": 37
       },
       "permeate_thickness_mm": {
           "value": 0.3
       },
       "membrane_thickness_mm": {
           "value": 0.25
       },
       "polysulfonic_layer_thickness_mm": {
           "value": 0.05
       },
       "support_layer_thickness_mm": {
           "value": 0.15
       }
   }
}

• module_diameter_mm dict: specifies the total diameter of the RO module.

• permeate_tube_diameter_mm dict: specifies the diameter of the permeate tube within the RO module.

• module_length_m dict: specifies the total length of the RO module.

• permeate_flow_m3_per_hour & max_feed_flow_m3_per_hour dict: specify the permeate and maximum feed flows through the RO module.

• feed_thickness_mm dict: defines the thickness of the feed spacer through which the feed passes.

• active_m2 dict: defines the total filtration area of the RO module.

• permeate_thickness_mm dict: defines the thickness of the permeate spacer.

• membrane_thickness_mm & polysulfonic_layer_thickness_mm & support_layer_thickness_mm dict: define the thickensses of each layer in the composite filtration membrane: the polyamide layer that filters the feed, and the polysulfonic and support layers that provide resiliency to the membrane structure, respectively.

Other key:value sub-dictionaries may be introduced as metadata for the parameters.

water_bodies

The feed geochemistry may be defined as a parameter file, in the water_bodies folder within the rosspy package directory, that supplements feed characteristics as a dictionary through the feed_geochemistry function. The default files in this folder embody curated experimental data from both natural and produced water sources, which can be emulated for constructing files for other water sources, which each characteristic is expressed with the respective units in its key name:

{
   "element": {
       "Mn": {
           "concentration (ppm)": 3000,
           "reference": "Haluszczak, Rose, and Kump, 2013 [estimated from another Marcellus publication]"
       },
       "Fe": {
           "concentration (ppm)": 26.6,
           "reference": "Chapman et al., 2012"
       },
       "B": {
           "concentration (ppm)": 20,
           "reference": "Haluszczak, Rose, and Kump, 2013 [reported average form another Marcellus publication]"
       },
       "Cl": {
           "concentration (ppm)": 81900,
           "reference": "Chapman et al., 2012"
       },
       "Na": {
           "concentration (ppm)": 32800,
           "reference": "Chapman et al., 2012"
       },
       "S(6)": {
           "concentration (ppm)": 45,
           "reference": "Haluszczak, Rose, and Kump, 2013 [estimated from another Marcellus publication]"
       },
       "Ca": {
           "concentration (ppm)": 8786,
           "reference": "Chapman et al., 2012"
       },
       "K": {
           "concentration (ppm)": 350,
           "reference": "Haluszczak, Rose, and Kump, 2013 [estimated from another Marcellus publication]"
       },
       "Mg": {
           "concentration (ppm)": 841,
           "reference": "Chapman et al., 2012"
       },
       "Sr": {
           "concentration (ppm)": 2415,
           "reference": "Chapman et al., 2012"
       },
       "Ba": {
           "concentration (ppm)": 962,
           "reference": "Chapman et al., 2012"
       },
       "Li": {
           "concentration (ppm)": 95,
           "reference": "Haluszczak, Rose, and Kump, 2013 [reported average from another Marcellus publication]"
       }
   },
   "temperature (C)": {
       "value": 24,
       "reference": "Dresel and Rose, 2010"
   },
   "pe": {
       "value": null,
       "reference": null
   },
   "Alkalinity": {
       "value": 71,
       "reference": "Haluszczak, Rose, and Kump, 2013 [reported average from another Marcellus publication]",
       "form": "CaCO3"
   },
   "pH": {
       "value": 7,
       "reference": "Haluszczak, Rose, and Kump, 2013 [estimated from another Marcellus publication]"
   }
}

• element dict: specifies all of the elements that are present in the feed, with sub-dictionaries of their concentrations and metadata. Some of these elements will not be amenable with some databases, which ROSSpy will simply ignore when defining the input file for an incompatible database.

• temperature (C), pe, Alkalinity, & pH dict: specify conditions and characteristics of the feed solution, with sub-directories of their respective value, chemical formula, and optionally metadata.