Review of Mathematical Models of Water Quality PDF
Review of Mathematical Models of Water Quality PDF
Review of Mathematical Models of Water Quality PDF
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Article in Ecological Chemistry and Engineering. S = Chemia i Inżynieria Ekologiczna. S · June 2012
DOI: 10.2478/v10216-011-0015-x
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water quality occur only along the water quality in the sea bays, lakes, dams
longitudinal profile of the watercourse. and deep rivers; they require huge
One-dimensional inflow-outflow models amounts of data and extensive analytical
are based on measuring the experience from the user. They are most
concentration loads of water parameters rarely used because of high complexity
flowing in and out. On this basis changes of the analysed issues.
in the concentrations of all parameters As with other areas of the environment,
are calculated. One-dimensional models omputer modelling of surface water quality
are not designed to calculate the issues requires a multidisciplinary
variation of concentration at the time, so approach in which mathematical methods
one cannot get information on the and modern computer technologies are
specific hourly, daily and monthly water applied simultaneously with the basic
quality parameters. These programs do techniques in the field of environmental
not describe the complex chemical, engineering. This applies to the description
physical and biological reactions in of physical phenomena associated with the
water reservoirs which are an essential formation of pollutants, their distribution
factor regulating changes in the water and the changes which take place in the
quality parameters. An advantage of aquatic environment, as well as the
these programs is that they can be application of computational methods and
applied quickly to any other water models for hazard analysis or control of
reservoir without pre-calibration and water quality in specific cases [2]. From the
with small available database of standpoint of applications, the ultimate goal
measurements [5], of the model is to use it as a supportive tool
— two-dimensional models (2D), which in monitoring and forecasting surface water
assume that significant changes in water quality, as well as while taking planning
quality occur not only along but also in decisions. Due to the extent and spatial
the longitudinal profile of the scale, several categories of models are
watercourse, and therefore it is necessary considered:
to analyse water quality at various a) Operational models - typically related
depths. Two-dimensional models are to short-term forecasting and used to real-
used most often in the case of lakes, time control of water reservoirs or flow rate
reservoirs or deep rivers and require in order to maintain established parameters.
more data and more analytical Such models require automatic entering of
experience of the user than the one- current input data.
dimensional models. They require b) Tactical models - associated with the
careful calibration and are sensitive to use of operational decision-making in
changes of many parameters of water taking tactical actions in which
quality. The end result of these programs relationships of the “input-output” type
is a forecast of water quality parameters between the key parameters of the system
close to measurements of actual are vital. The time horizon of this type of
concentrations. Assessment of individual analysis covers a period of couple of days,
parameters can be performed for given weeks or even a season in the case of
time intervals, i.e. hour, day, week, control of water quality in a river. In terms
month and year [5], of tools used in the tactical model, steady-
— three-dimensional models (3D), which state analysis and quantitative economic
examine the spatial distribution of and environmental instruments are used
concentrations of simulated water- most frequently.
quality parameters. Three-dimensional c) Strategic models - refer to a longer
models are used to simulate changes in time horizon, where one can analyse,
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predict, or plan the state of the environment models derived from public or commercial
as a projection of the current state, taking basic modules and then adapted to the
into account all the relevant trends. This modelled stream or water reservoir [3].
type of modelling is based on an analysis of
the results of computer simulation of The United States of America leads the
various scenarios and analysis of its way in the field of modelling of surface
efficiency. water quality using its own, world's best-
d) Directional models - concern long- developed network of continuous
term forecasts related to structural changes, monitoring of surface waters. One- and
testing the possibility of sustainable two-dimensional models are used on a
development and the evolution of the large scale, both by research centres and
whole system. federal or state institutions. The biggest role
Properly chosen calculation is played by three state institutions: EPA
programs are the tool that is used to model (United States Environmental Protection
changes in the aquatic environment. They Agency), United States Geological Survey
simulate the behaviour of the aquatic and Waterways Experiment Station,
environment and the way its parameters belonging to the United States Army Corps
change. These parameters include water of Engineers. European achievements in
temperature, wind strength and direction, this area are also significant, however free
the concentration of dissolved oxygen, access to the U.S. models and their
salinity of water, the amount of biogenic documentation, programming language
compounds and other parameters and numerous examples of practical
depending on the complexity of a program application promotes the choice of models
[4]. generated in the United States [4]. A brief
The world's first surface water quality description of selected models of surface
model was created in 1925 in the United water is given below.
States of America, by Streeter and Phelps in - AQUATOX 2.2, is a PC-based ecosystem
order to layout the location of drainage model that predicts the fate of nutrients,
sewage outfalls on the Ohio River [3]. It was sediments, and organic chemicals in water
a one-dimensional model, based on the bodies, as well as their direct and indirect
balance of oxygen and simple linear effects on the resident organisms.
equations. Although since then more than AQUATOX simulates the transfer of
80 years have passed, basic approach to biomass and chemicals from one
modelling of surface water quality has not compartment of the ecosystem to another. It
changed, since the construction of all does this by simultaneously computing
models is founded on three basic principles, important chemical and biological processes
i.e. the conservation of mass, momentum over time. AQUATOX simulates multiple
and energy. Ordinary and partial environmental stressors (including
differential equations are used to describe nutrients, organic loadings, sediments, toxic
the dynamics of phenomena occurring in chemicals, and temperature) and their
the surface waters associated with the effects on the algal, macrophyte,
spread of various pollutants. For each invertebrate, and fish communities.
physical quantity (in the considered control AQUATOX can help identify and
volume and time interval) the general law understand the cause and effect
of conservation is as follows [2]: relationships between chemical water
Inflow - outflow + source of change = quality, the physical environment, and
accumulation aquatic life. It can represent a variety of
It is estimated that currently there are at aquatic ecosystems, including vertically
least several thousand surface water quality
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stratified lakes, reservoirs and ponds, rivers RIV1Q can predict variations in each of 12
and streams, and now estuaries, state variables: temperature, carbonaceous
- CE-QUAL-ICM has evolved from a 3D biochemical oxygen demand (CBOD),
water quality model developed for organic nitrogen, ammonia nitrogen, nitrate
Chesapeake Bay to evaluate the + nitrite nitrogen, dissolved oxygen,
effectiveness of nutrient reduction organic phosphorus, dissolved phosphates,
proposals on Bay eutrophication. This algae, dissolved iron, dissolved manganese,
model contains a bottom sediment and coliform bacteria. In addition, the
chemistry submodel that interacts with the impacts of macrophytes can be simulated,
water column for simulating sediment - CE-QUAL-W2 2D is a water quality and
oxygen demand and nutrient fluxes. The hydrodynamic model in 2D (longitudinal-
CE-QUAL-ICM modeling approach vertical) for rivers, estuaries, lakes,
involves first applying a 2D or 3D reservoirs and river basin systems. It is a
hydrodynamic model and coupling the two-dimensional water quality and
output to CE-QUAL-ICM for driving the hydrodynamic code supported by the
transport terms. The water quality model USACE Waterways Experiments Station [6].
can then be applied for a variety of The model has been widely applied to
conditions without having to rerun the stratified surface water systems such as
hydrodynamic model. The CE-QUAL-ICM lakes, reservoirs, and estuaries and
model has been used on a number of computes water levels, horizontal and
systems, including Chesapeake Bay, the vertical velocities, temperature, and 21
New York Bight, Lower Green Bay, Los other water quality parameters (such as
Angeles - Long Beach Harbor, and Indian dissolved oxygen, nutrients, organic matter,
River - Rehoboth Bay, algae, pH, the carbonate cycle, bacteria, and
- CE-QUAL-RIV1 1D is a one- dissolved and suspended solids),
dimensional (cross-sectionally averaged) - COASTOX, this model was developed at
hydrodynamic and water quality model, the Cybernetics Center, Kiev [7] to simulate
meaning that the model resolves the transport and the dispersion of
longitudinal variations in hydraulic and pollutants in the Dnieper reservoirs and in
quality characteristics and is applicable the Pripyat River. It contains the
where lateral and vertical variations are radionuclide transport submodels similar to
small. CE-QUAL-RIV1 consists of two those used in FETRA. The model includes
parts, a hydrodynamic code (RIV1H) and a the ediment transport, the transport by the
water quality code (RIV1Q). The advection-diffusion, and the radionuclide -
hydrodynamic code is applied first to sediment interactions. It considers the
predict water transport and its results are dynamics of the bottom depositions and
written to a file, which is then read by the describes the rate of the sedimentation and
quality model. It can be used to predict one- the resuspension as a function of the
dimensional hydraulic and water quality difference between the actual and
variations in streams and rivers with highly equilibrium concentration of the suspended
unsteady flows, although it can also be used matter depending on the transport capacity
for prediction under steady flow conditions. of the flow,
RIV1H predicts flows, depths, velocities, - DELFT 3D is a complete coastal
water surface elevations, and other hydrodynamic modeling system, capable of
hydraulic characteristics. The simulating hydrodynamic processes due to
hydrodynamic model solves the St. Venant waves, tides, rivers, winds and coastal
equations as the governing flow equations currents. It is a system of three-dimensional
using the widely accepted four-point calculation programs developed by Delft
implicit finite difference numerical scheme. Hydraulics. Delft 3D is a software package
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system, will be represented in a three- independent set of data inputs and outputs
dimensional space. The test model of the that can be used to test the calibrated
environment is “an area of modelling”. model. The data used for the verification
Description of the area of modelling must be independent of the data used to
involves both the definition of its borders, calibrate the models. A model is considered
i.e. separating it from its surroundings, and verified if the model forecasts, for the range
description of the existing relationships, of results other than the calibration data,
and relationships characterizing the impact coincide with those observed in the field [2].
of the environment outside the borders of In view of the multidisciplinary
the chosen system [12]. Definition of the nature and generally high complexity of
area of modelling has to include the terms computer models of the environment, one
of time and space as well as the selection should pay attention to several conditions
and characterization of the processes to be met in the process of the models’
occurring in the system. An overall creation, calibration and verification, which
approach is closely connected with the will allow us to expect usefulness of the
division of the receiver into segments and model in practice. The following items are
layers and construction or selection of the especially noteworthy:
model itself. Pre-assessment of the selected • Models based on the best available
model can be made using sensitivity theoretical results should be used to
analysis. Proper writing of mathematical describe the processes, for example,
equations and their numerical solutions, using full description of the present
using the chosen method is vital in this three-dimensional spatial phenomena,
step. avoid approximation in steady-state
The purpose of calibration of the dynamic processes, changing over time.
model is to establish to what extent the • Adopted description should be fully
results of obtained calculations are documented (basic assumptions,
consistent with the results of field equations and parameters should refer
measurements. The calibration is usually to reviewed publications).
done by successive approximations for • Computer code should be fully tested,
different sets of parameters. It is performed both as a whole and at the level of its
on one or more data sets for both inputs individual modules.
and outputs. The parameters of models and • The model should be tested not only by
the model itself are adjusted or modified in its creators, but also by other
order to get a result that is closest to the independent teams.
currently observed water quality. Model • Input data must be reliable. Applied
calibration is burdened with an error due to time and spatial discretization should
uncertainty and errors in spatial mapping be consistent with the scale of
and temporal distribution of the parameters simulated physical phenomena.
in the tested area as well as because of • Computer code should be numerically
inaccuracy of boundary conditions. Model correct. All the iterative processes
sensitivity is analysed to determine the should be consistent, providing
impact of these errors on the solution, using adequate accuracy of the solutions and
special methods and algorithms. their results should not depend (within
Model verification is aimed at the assumed accuracy) on the length of
increasing its credibility by performing temporal and spatial discretization
calculations for a number of sets of steps.
parameter values to determine one optimal • The model should be fully verified on
set which will characterize the modelled real data.
object. Verification of the model requires an
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• Attention should be paid to the proper and WASP, which can work both together
calibration parameters, including their and independently. The DYNHYD-5
range of uncertainty. program is a hydrodynamic model which
• Applications of the model should be creates a set of data to determine the flows
fully documented in such a way that and other transport values. By contrast, the
individual projects can be repeated for WASP-6 program enables modelling of the
the same values and input data. spread and interaction of pollutants in the
Surface water quality model may water. The equations solved by the WASP-6
have practical applications, and once program are based on the principle of
calibrated (and subsequently verified) conservation of mass. The input data must
becomes a powerful analytical tool which be supplied to be able to perform the mass
enables wide-range engineering and balance; the data describe:
environmental protection of the given — concentration limits,
watercourse, in particular while preparing — advective transport and dispersion,
forecasts of quality. Verified functioning of
a surface water quality model provides a — type of simulation, the number of
scientific basis for the subtraction of specific segments, starting time of the simulation,
actions which can be either to maintain the time step,
existing state of the aquatic environment as
well as to improve it in a given time — geometry of the segments into which the
horizon, depending on the changing human analysed basin was divided,
pressure on the environment [4]. — advective transport and dispersion,
4. Specifics of the WASP program — concentration limits,
The WASP program (Water Analysis — point and linear sources of pollution,
Simulation Program) was developed under — function of time: temperature, wind
the auspices of the Environmental speed, solar radiation, the flow of
Protection Agency of the United States [13]. biogenic compounds load,
An enhancement of the original WASP — initial concentration.
[14,14a]. This model helps users interpret These data together with the general
and predict water quality responses to mass balance equations which are included
natural phenomena and manmade in WASP-6, enable solving of a set of
pollution for various pollution management equations that describe water quality. The
decisions. It is designed for dynamic WASP model requires high selectivity of
modelling of transport phenomena and input raw data. Entering the input data and
changes occurring in the aquatic initial calibration of the model requires a lot
environment and in the layer of benthic of time and leaves no margin for error in
deposit resulting from sedimentation. It is implementation of the initial parameters of
used to simulate water quality changes the database. Final analysis of the results
which occur in streams, rivers, lakes, provides complex two-dimensional
artificial reservoirs, estuaries and marine dependencies. We get the values of various
coastal waters. The program reflects the parameters of water quality in the water
time-varying processes of advection, reservoir segments in terms of two other
dispersion, considers both point and aerial parameters. This enables a very accurate
tributaries and boundaries of the exchange. prediction of concentrations of various
WASP is a dynamic program, multipartite parameters and their variability in response
suite enabling modelling of one-, two- and to changes of not one but several
three-dimensional structures. parameters with which the modelled
This program consists of two parameter is connected [5] WASP-6 has as
separate computer programs: DYNHYD well two kinetic subprograms designed for
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simulation of other issues related to water all available or selected processes in the
quality. The EUTRO model enables modelled system. The way of solving the
modelling of phenomena related to water given problem depends on the number of
eutrophication by solving problems of the entered data. The EUTRO program enables
dynamics of dissolved oxygen, BOD, modelling and simulation of transport and
nutrient concentrations and phytoplankton changes of eight water quality parameters
abundance in the water depths. The TOXI (variables of the eutrophication):
model includes procedures for simulation — ammonium nitrogen,
of toxic pollutants (COD, heavy metals) in — nitrate nitrogen,
the analysed waters [13]. The program in its — organic nitrogen,
simplified version was successfully used for — phosphate,
modelling the eutrophication of Tampa Bay, — organic phosphorus,
inflow of phosphorus to Okeechobee Lake, — dissolved oxygen,
eutrophication of the Neuse River and its — BOD,
estuary, eutrophication of phenolic — phytoplankton (chlorophyll a).
contaminants in Grand Lake,
eutrophication of the Potomac estuary, Specified state variables are calculated by
Delaware estuary, organic pollutants and taking into account many parallel and
heavy metals contamination of the Deep interrelated processes that are considered in
River - WASP-4 [13]. WASP-4 was used in the model as the four basic phenomena:
Poland to model changes in water quality in — kinetics of growth of phytoplankton,
the water reservoir Dobczyce [15], and — nitrogen cycle,
WAPS-5 was used to model water quality — phosphorus cycle,
of the Warta River [16]. — dissolved oxygen balance.
5. Description of the EUTRO model Initial parameter values required to
Eutrophication is a factor severely calibrate the WASP model need to come
limiting the use of reservoirs. It is a from a period longer than one calendar
consequence of the increased supply of year. Monitoring of water quality
organic and mineral matter [17]. The parameters enables accurate calibration of
trophic state of reservoir water is the calculation program. With the
determined mainly by phosphorus appropriate calibration, hydraulic
concentrations which in range of only 20 to coefficients can be determined enabling an
30 µg P/dm3 can lead to water blooming accurate account of various parameters.
[17]. The following limit values of After the calibration, the program proceeds
indicators of eutrophication of standing to calculate various parameters of water
water are used in Poland: total phosphorus quality [5].
- more than 0.1 mg/dm3, total nitrogen - 6. Modelling of eutrophication
more than 1.5 mg/dm3, chlorophyll a - The EUTRO module allows us to
above 25 µg/dm3, transparency - less than 2 predict changes of state variables, taking
m. The important manifestations of into account all the dependencies defined in
eutrophication - in addition to water the program and enables selection of certain
blooming - include also the development of variables and processes that shape the
algae epiphytes, deoxidation of quality of surface waters. Relationships
hypolimnion and reduction of biodiversity. between variables in the model calculation
The EUTRO model simulates nutrient procedures include three interrelated
enrichment, eutrophication and decrease of physical and chemical processes:
the concentration of dissolved oxygen. The — simple kinetics of eutrophication -
simulation can be carried out at different simulation of the process of growth and
levels of complexity and the user can select decay of phytoplankton, taking into
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account the impact of this process on the The WASP program models the
balance of dissolved oxygen and parameters which affect the process in time
circulation of biogenic compounds, and space, from the point of supply to the
— complex kinetics of eutrophication - point of the estuary of the pollution. The
takes into account the impact of model takes into account all possible ways
phytoplankton on the process of of mass exchange, such as advective
mineralization of nitrogen and organic transport (macroscopic fluid motion
phosphorus, as well as nitrification and resulting in the shipment of contaminants
denitrification, with no change in its concentration) and
— complex kinetics of eutrophication of the dispersive transport (particles are moved
benthic deposit - takes into account the from one place to another which is caused
exchange of the analysed parameters by repeated turbulent diffusion along the
with benthos: diffusive exchange of velocity gradient), inflow and outflow of
dissolved substances, benthic deposition loads outside of the tested system, physical,
and leaching. chemical and biological transformations.
The level of simulation calculations can The following kinds of transport of mineral
be adjusted to specific needs. Reliability of and organic particles are to be indicated in
results depends mainly on the accuracy terms of computational procedures [18]:
with which the reservoir ecosystem, — transport in a water column (advective
environmental parameters, the parameters flow of water and dispersive mixing
of processes in the environment, and between areas of high and low
sources of pollution are described. concentration),
The simulation of eutrophication is based — transport in the layer of the sediment,
on solving differential equations of mass taking into account the flow of water in
balance. These equations are solved using the pores and diffusion between the
numerical methods of finite elements. After sediment and water column,
assuming vertical and lateral uniformity — transport of pollution as a result of
within segments, the differential equation deposition and re-suspending particles
takes a simplified form of [14]: in water (transport between the water
= − + + layer and sediment bed),
— transport by evaporation from the
+ + (6.1)
surface waters and deposition on its
surface.
where: The key assumption in defining the
c-concentration of water quality component model is the division of the modelled
(g/m3), environment into segments in a spatial
t – simulation time (d), coordinate system, representing its physical
Ux - longitudinal speed of advection (m/d), configuration [13]. This division depends
Ex - coefficient of dispersion in the direction on the purpose of simulation. In the case of
of water flow (m2/d), forecasting the overall process of
Si - direct and diffusive external eutrophication of lakes, the division into
cntamination load (g/m2d), segments should take into account the
Sb - load excganged between segments as a characteristics of the aquatic environment
result of longitudinal dispersion (g3/md), which can be distinguished on the basis of
Sk -contamination load due to kinetic variables, and changes in the intensity of
transformations (g/m2d), the processes which affect water quality in
A - transformation area (m2), those parts as well as their variability in
time. The environment can be divided
vertically, along and across. The
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trophic level and impact of the drainage analysis have become an independent
basin on the lakes and their vulnerability to branch of research, which substantially
natural degradation, thereby defining the increases the research capabilities of
extent of activities in the drainage area modern eco-engineers.
(especially if it is susceptible to load In the last thirty years a rapid
release), the protection of individual development of mathematical modelling of
reservoirs and ways of their rehabilitation. water resources quality has been observed.
Protection of water quality in dam A number of computer models have been
reservoirs, particularly for water supply designed which are successfully applied in
purpose may be implemented in different practice in many countries, including
ways. The basis for selection of a protection Poland. This paper presents an overview of
method should be a detailed and mathematical models for assessment of
multifaceted analysis of specific conditions. water quality in dam reservoirs. Description
Among other things, the time of water of the WASP program which will be used
retention in the reservoir plays an for modelling water quality in the Sulejów
important role. Correct economic use of the Reservoir (Lodz Province) was the focal
area located in the basin of water intake is point.
essential. Among many possibilities of
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