Final Review • Exam cumulative: incorporate complete midterm review Calculus Review Derivative of a polynomial • In differential Calculus, we consider the slopes of curves rather than straight lines • For polynomial y = axn + bxp + cxq + …, derivative with respect to x is: • dy/dx = a n x(n-1) + b p x(p-1) + c q x(q-1) + … Example 14 12 10 8 y y = axn + bxp + cxq + … 6 a n b p c q 4 3 3 5 2 5 0 2 0 -1 -0.8 -0.6 -0.4 -0.2 0 0.2 0.4 0.6 0.8 1 0.2 0.4 0.6 0.8 1 x 25 20 dy/dx = a n x(n-1) + b p x(p-1) + c q x(q-1) + … y 15 10 5 0 -5 -1 -0.8 -0.6 -0.4 -0.2 0 x Numerical Derivatives • ‘finite difference’ approximation • slope between points • dy/dx ≈ Dy/Dx Derivative of Sine and Cosine 1.5 p p 1 0.5 0 0 1 2 3 4 5 -0.5 -1 -1.5 • • • • sin(0) = 0 period of both sine and cosine is 2p d(sin(x))/dx = cos(x) d(cos(x))/dx = -sin(x) 6 7 Sin(x) Cos(x) Partial Derivatives 3 2.5 2 1.5 1 0.5 0 -0.5 S19 -1 S13 19 13 16 X 10 S7 7 4 1 -1.5 Y S1 • Functions of more than one variable • Example: h(x,y) = x4 + y3 + xy 2.5-3 2-2.5 1.5-2 1-1.5 0.5-1 0-0.5 -0.5-0 -1--0.5 -1.5--1 Partial Derivatives • Partial derivative of h with respect to x at a y location y0 • Notation ∂h/∂x|y=y0 • Treat ys as constants • If these constants stand alone, they drop out of the result • If they are in multiplicative terms involving x, they are retained as constants Partial Derivatives 3 2.5 2 1.5 1 0.5 0 -0.5 S19 -1 S13 19 Example: h(x,y) = x4 + y3 + x2y+ xy ∂h/∂x = 4x3 + 2xy + y ∂h/∂x|y=y0 = 4x3 + 2xy0+ y0 16 X 10 7 S7 13 • • • • 4 1 -1.5 S1 Y WHY? Gradients • del h (or grad h) h h h i j x y • Darcy’s Law: q Kh Equipotentials/Velocity Vectors Capture Zones Watersheds http://www.bsatroop257.org/Documents/Summer%20Camp/Topographic%20map%20of%20Bartle.jpg Watersheds http://www.bsatroop257.org/Documents/Summer%20Camp/Topographic%20map%20of%20Bartle.jpg Capture Zones Water (Mass) Balance • In – Out = Change in Storage – Totally general – Usually for a particular time interval – Many ways to break up components – Different reservoirs can be considered Water (Mass) Balance • Principal components: – Precipitation – Evaporation – Transpiration – Runoff • P – E – T – Ro = Change in Storage • Units? Ground Water (Mass) Balance • Principal components: – Recharge – Inflow – Transpiration – Outflow • R + Qin – T – Qout = Change in Storage Ground Water Basics • Porosity • Head • Hydraulic Conductivity Porosity Basics • Porosity n (or f) n • Volume of pores is also the total volume – the solids volume Vpores Vtotal Vtotal Vsolids n Vtotal • Porosity Basics Vtotal Vsolids Can re-write that as: n Vtotal • Then incorporate: • Solid density: rs = Msolids/Vsolids • Bulk density: rb = Msolids/Vtotal • rb/rs = Vsolids/Vtotal Vsolids n 1 Vtotal rb n 1 rs Ground Water Flow • • • • • • • Pressure and pressure head Elevation head Total head Head gradient Discharge Darcy’s Law (hydraulic conductivity) Kozeny-Carman Equation Pressure • Pressure is force per unit area • Newton: F = ma – F force (‘Newtons’ N or kg ms-2) – m mass (kg) – a acceleration (ms-2) • P = F/Area (Nm-2 or kg ms-2m-2 = kg s-2m-1 = Pa) Pressure and Pressure Head • Pressure relative to atmospheric, so P = 0 at water table • P = rghp – r density – g gravity – hp depth Pressure Head (increases with depth below surface) Elevation P = 0 (= Patm) Head Elevation Head • Water wants to fall • Potential energy Head Elevation Elevation Head (increases with height above datum) Elevation datum Total Head • For our purposes: • Total head = Pressure head + Elevation head • Water flows down a total head gradient Elevation datum Head Total Head (constant: hydrostatic equilibrium) Elevation P = 0 (= Patm) Head Gradient • Change in head divided by distance in porous medium over which head change occurs • A slope • dh/dx [unitless] Discharge • Q (volume per time: L3T-1) • q (volume per time per area: L3T-1L-2 = LT-1) Darcy’s Law • q = -K dh/dx – Darcy ‘velocity’ • Q = K dh/dx A – where K is the hydraulic conductivity and A is the crosssectional flow area • Transmissivity T = Kb – b = aquifer thickness • Q = T dh/dx L – L = width of flow field 1803 - 1858 www.ngwa.org/ ngwef/darcy.html Mean Pore Water Velocity • Darcy ‘velocity’: q = -K ∂h/∂x • Mean pore water velocity: v = q/ne Intrinsic Permeability rw g K k L T-1 L2 More on gradients 2.445659 3.399753 4.067833 4.549766 4.902074 5.160327 5.348374 5.482701 5.574732 5.63216 5.659738 1 2.445659 3.399754 4.067834 4.549768 4.902077 5.160329 5.348377 5.482704 5.574736 5.632163 5.659741 5.659741 2 2.937225 3.685772 4.253985 4.679399 4.99614 5.230543 5.402107 5.52501 5.609349 5.662024 5.68733 5.68733 3 3.61747 4.152128 4.582937 4.917709 5.172544 5.363601 5.504502 5.605886 5.675635 5.719259 5.740232 5.740232 4 4.380528 4.722335 5.007931 5.235958 5.412733 5.546819 5.646422 5.718404 5.768053 5.799151 5.814114 5.814114 5 5.182307 5.348756 5.490497 5.605464 5.695616 5.764526 5.815968 5.853259 5.879029 5.895187 5.902965 5.902965 6 5.999944 5.99989 5.999838 5.999789 5.999745 5.999705 5.999672 5.999644 5.999623 5.999608 5.999601 5.999601 7 6.817582 6.651023 6.509179 6.394115 6.303874 6.234885 6.183375 6.146028 6.120216 6.10403 6.096237 6.096237 S1 S2 S3 S4 S5 S6 S7 S8 S9 S10 S11 1 2 3 4 5 6 7 8 9 S12 10 11 8 7.619361 7.277444 6.991744 6.76362 6.586756 6.452591 6.35292 6.280883 6.231191 6.200064 6.185087 6.185087 9 8.382418 7.847651 7.416737 7.081868 6.826944 6.635808 6.494838 6.393399 6.323607 6.279955 6.258968 6.258968 10 9.062663 8.314006 7.745689 7.320177 7.003347 6.768864 6.597232 6.474273 6.389891 6.337188 6.311867 6.311867 10.5-11 10-10.5 9.5-10 9-9.5 8.5-9 8-8.5 7.5-8 7-7.5 6.5-7 6-6.5 5.5-6 5-5.5 4.5-5 4-4.5 3.5-4 3-3.5 2.5-3 2-2.5 1.5-2 11 9.554228 8.600023 7.931838 7.449806 7.097408 6.839075 6.650959 6.516576 6.424502 6.367045 6.339453 6.339453 9.554228 8.600023 7.931838 7.449806 7.097408 6.839075 6.650959 6.516576 6.424502 6.367045 6.339453 6.339453 More on gradients • Three point problems: h h h More on gradients h = 10m • Three point problems: – (2 equal heads) h = 10m h = 9m • Gradient = (10m9m)/CD • CD? – Scale from map – Compute More on gradients h = 11m • Three point problems: – (3 unequal heads) Best guess for h = 10m h = 10m h = 9m • Gradient = (10m9m)/CD • CD? – Scale from map – Compute Types of Porous Media Isotropic Anisotropic Homogeneous Heterogeneous Hydraulic Conductivity Values K (m/d) 8.6 0.86 Freeze and Cherry, 1979 Layered media (horizontal conductivity) M Q4 Kh Q3 Q2 Q1 b K i 1 M b i 1 Q = Q1 + Q2 + Q 3 + Q4 Flow K2 b2 K1 b1 i i hi Layered media (vertical conductivity) Q4 R4 Q3 R3 Q2 Q1 Flow R2 Controls flow R1 Q ≈ Q 1 ≈ Q2 ≈ Q3 ≈ Q4 The overall resistance is controlled by the largest resistance: R = R1 + R2 + R3 + R4 K2 b2 K1 b1 M Kv b i 1 i M b / K i 1 i The hydraulic resistance is b/K hi Aquifers • Lithologic unit or collection of units capable of yielding water to wells • Confined aquifer bounded by confining beds • Unconfined or water table aquifer bounded by water table • Perched aquifers Transmissivity • T = Kb gpd/ft, ft2/d, m2/d Schematic T2 (or K2) b2 (or h2) i=2 k2 d2 T1 b1 k1 d1 i=1 Pumped Aquifer Heads T2 (or K2) b2 (or h2) i=2 k2 d2 T1 b1 k1 d1 i=1 Heads h2 h2 - h1 T2 (or K2) b2 (or h2) i=2 h1 k2 d2 T1 b1 k1 d1 i=1 Flows h2 h2 - h1 h1 T2 (or K2) b2 (or h2) i=2 qv k2 d2 T1 b1 k1 d1 i=1 Terminology • Derive governing equation: – Mass balance, pass to differential equation • Take derivative: – dx2/dx = 2x • PDE = Partial Differential Equation • CDE or ADE = Convection or Advection Diffusion or Dispersion Equation • Analytical solution: – exact mathematical solution, usually from integration • Numerical solution: – Derivatives are approximated by finite differences Derivation of 1-D Laplace Equation • Inflows - Outflows = 0 • (qx|x- qx|x+Dx)DyDz = 0 h q K x qx|x h h K x K x DyDz 0 x x Dx h h x x x x Dx 0 Dx Dz qx|x+Dx Dx Dy h 0 2 x 2 Governing Equation Boundary Conditions • Constant head: h = constant • Constant flux: dh/dx = constant – If dh/dx = 0 then no flow – Otherwise constant flow General Analytical Solution of 1-D Laplace Equation h 0 2 x 2 h x 2 x 0x h x x Ax 2 h A x h Ax B Particular Analytical Solution of 1-D Laplace Equation (BVP) BCs: - Derivative (constant flux): e.g., dh/dx|0 = 0.01 - Constant head: e.g., h|100 = 10 m After 1st integration of Laplace Equation we have: h A x After 2nd integration of Laplace Equation we have: h Ax B Incorporate derivative, gives A. Incorporate constant head, gives B. Finite Difference Solution of 1-D Laplace Equation Need finite difference approximation for 2nd order derivative. Start with 1st order. h x Dx h x h x Dx h x h x x Dx / 2 x Dx x Dx Look the other direction and estimate at x – Dx/2: h x x Dx / 2 h x h x Dx x x Dx h x h x Dx Dx h/x|x+Dx/2 h|x x Estimate here h|x+Dx x +Dx Finite Difference Solution of 1-D Laplace Equation (ctd) h|x-Dx h/x|x-Dx/2 x -Dx Estimate here h|x h/x|x+Dx/2 x Estimate here h|x+Dx x +Dx 2h/x2|x Estimate here 1st Combine order derivative approximations to get 2nd order derivative approximation. h h h x Dx h x h x h x Dx h x Dx 2h x h x Dx 2h x x Dx / 2 x x Dx / 2 D x D x 0 2 2 x Dx Dx Dx Solve for h: hx h x Dx h x Dx 2 2-D Finite Difference Approximation y +Dy h|x-Dx,y x -Dx h|x,y+Dy h|x,y h|x+Dx,y x, y x +Dx h|x,y-Dy h x, y h x Dx , y h x Dx , y h x , y Dy h x , y Dy 4 Poisson Equation R qx|x qx|x+Dx b Dx Dy • Add/remove water from system so that inflow and outflow are different • R can be recharge, ET, well pumping, etc. • R can be a function of space • Units of R: L T-1 Derivation of Poisson Equation R (qx|x- qx|x+Dx)Dyb + RDxDy =0 h q K x qx|x qx|x+Dx b Dx Dy h h K x K x Dyb RDxDy x x Dx h x h x R x Dx x Dx T 2h R 2 x T General Analytical Solution of 1-D Poisson Equation h R 2 x T h R x x T x Ax h R x 2 x T x R 2 h x Ax B 2T 2 2 h R x A x T R 2 h x Ax B 2T Water balance R 2 h x Ax B 2T qx|x R qx|x+Dx b Dx • • • • • Dy Qin + RDxDy – Qout = 0 qin bDy + RDxDy – qout bDy = 0 -K dh/dx|in bDy + RDxDy – -K dh/dx|out bDy = 0 -T dh/dx|in Dy + RDxDy – -T dh/dx|out Dy = 0 -T dh/dx|in + RDx +T dh/dx|out = 0 Dupuit Assumption • Flow is horizontal • Gradient = slope of water table • Equipotentials are vertical Dupuit Assumption (qx|x hx|x - qx|x+Dx h|x+Dx)Dy + RDxDy = 0 h q K x h h hx Dx Dy RDxDy K x hx K x x x Dx h h 2h x x 2 h 2 x h 2 x R x Dx x 2Dx K h 2R 2 x K 2 2 Transient Problems • • • • Transient GW flow Diffusion Convection-Dispersion Equation All transient problems require specifying initial conditions (in addition to boundary conditions) Storage Coefficient/Storativity • S is storage coefficient or storativity: The amount of water stored or released per unit area of aquifer given unit head change • Typical values of S (dimensionless) are 10-5 – 10-3 • Measuring storativity: derived from observations of multi-well tests • GEOS 4310/5310 Lecture Notes, Fall 2002 Dr. T. Brikowski, UTD http://www.utdallas.edu/~brikowi/Teaching/Geohydrology/LectureNotes/Regional_Flow/Storativity.html 1-D Transient GW Flow 1-D Transient GW Flow: Deriving the Governing PDE qx|x qx|x+Dx b Dx • DVw = DxDy S Dh (qx|x - qx|x+Dx)Dyb = SDxDyh/t dq h Dyb SDxDy dx t h q K x h K x S h x b t K K (x) h S h 2 x T t 2 Finite Difference Solution • First order spatial derivative: C/x|x+Dx/2 h|x h|x+Dx x Estimate here x +Dx h x Dx h x h x Dx h x h x x Dx / 2 x Dx x Dx Second order spatial derivative h|x-Dx x -Dx h/x|x-Dx/2 h|x Estimate here x 2h/x2|x Estimate here h/x|x+Dx/2 Estimate here h|x+Dx x +Dx h h 2h x x Dx / 2 x 2 x Dx h x Dx h x Dx Dx x Dx / 2 h x h x Dx Dx h x Dx 2h x h x Dx Dx 2 Finite Difference Solution • Temporal devivative h|x, t-Dt t-Dt x +Dx x -Dx C/t|t-Dt/2 Estimate here h|x, t t x h Dh hx ,t hx ,t Dt t Dt Dt All together: h S h 2 x T t 2 h x Dx , y ,t Dt 2h x ,t Dt h x Dx ,t Dt Dx 2 hx ,t hx ,t Dt S hx ,t hx , y ,t Dt T Dt TDt h x Dx ,t Dt 2h x ,t Dt h x Dx ,t Dt 2 S Dx • Stability criterion (Mesh Ratio): TDt/(S(Dx)2) < ½. Diffusion Dz jx|x Jx|x+Dx Dy x x + Dx C jx x jx xDx DyDz t DxDyDz • Fick’s Law: C C D D x x x C C D D x x x Dx C j D x C DyDz DxDyDz t x Dx C x Dx t • Heat/Diffusion Equation: C x C D x t 2 C C D 2 t x Temporal Derivative C|x, t-Dt t-Dt x +Dx x -Dx C/t|t-Dt/2 Estimate here C|x, t t C DC C x ,t C x ,t Dt t Dt Dt x All together: C C D 2 t x 2 D C x Dx ,t Dt 2C x ,t Dt C (Dx) C x ,t 2 x Dx ,t Dt C x ,t C x ,t Dt Dt DDt C x ,t Dt C x Dx ,t Dt 2C x ,t Dt C x Dx ,t Dt 2 (Dx) Boundary conditions • Specify either – Concentrations at the boundaries, or – Chemical flux at the boundaries (usually zero) • Fixed concentration boundary concept is simple. • Chemical flux boundary is slightly more difficult. We go back to Fick’s law: C j D x Notice that if ∂C/∂x = 0, then there is no flux. The finite difference expression we developed for ∂C/∂x is C x x Dx / 2 C x Dx C x Dx • Setting this to 0 is equivalent to C x Dx C x Convection-Dispersion Equation ja qC C jd nD x C C qC x nD qC x Dx nD x x x C DyDz nDxDyDz t x Dx •Key difference from diffusion here! • Convective flux C C vC x D vC x Dx D x x x Dx C x Dx t CDE C v x C x Dx Dx C C x x x D Dx C x Dx t C C x C v D x x t C C C v D 2 x x t 2 Finite Difference: Spatial C|x-Dx x -Dx C/x|x-Dx/2 Estimate here C|x C/x|x+Dx/2 x Estimate here 2C/x2|x C|x+Dx x +Dx 2C 2 x C x C x x Dx / 2 Dx x Dx / 2 Estimate here C x Dx C x Dx C x C x Dx Dx Dx C x Dx 2C x C x Dx ( Dx ) 2 Finite Difference: Temporal t-Dt x +Dx x -Dx C/t|t-Dt/2 Estimate here C|x, t t x C DC C x ,t C x ,t Dt t Dt Dt Centered Finite Difference • For first order spatial derivative: C x x Dx / 2 C x Dx C x Dx • Worked for estimating second order derivative (estimate ended up at x). • Need centered derivative approximation C x Dx C xDx C x x 2Dx All together: C 2C C v D 2 x x t -v C x Dx ,t Dd C x Dx ,t Dt 2Dx C x ,t C x ,t Dt D C x Dx ,t Dt 2C x ,t Dt C x Dx ,t Dt (Dx) 2 C x ,t C x ,t Dt Dt DDt vDt C 2 C C C x Dx ,t Dt C x Dx ,t Dt 2 x Dx ,t Dt x ,t Dt x Dx ,t Dt (Dx) 2Dx • prone to numerical instabilities depending on the values of the factors DDt/(Dx)2 and vDt/2Dx (CFL) Boundary conditions • Specify either – Concentrations at the boundaries, or – Chemical flux at the boundaries • Fixed concentration boundary concept is simple • Chemical flux boundary is slightly more difficult. We go back to the flux C j qC nD x Notice that if ∂C/∂x = 0, then there is no dispersive flux but there can still be a convective flux. This would apply at the end of a soil column for example; the water carrying the chemical still flows out of the column but there is no more dispersion. One of the finite difference expressions we developed for ∂C/∂x is C x x Dx / 2 C x Dx C x Dx • Setting this to 0 is equivalent to C x Dx C x Fitting the CDE 1.2 Relative Concentration 1 0.8 Model 0.6 Data 0.4 0.2 0 0 500 1000 1500 2000 2500 Time (sec) 3000 3500 4000 4500 Adsorption Isotherm Cs • Linear: Cs = Kd C C Koc Values • Kd = Koc foc Organic Carbon Partitioning Coefficients for Nonionizable Organic Compounds. Adapted from USEPA, Soil Screening Guidance: Technical Background Document. http://www.epa.gov/superfund/resources/soil/introtbd.htm Compound Acenaphthene mean Koc (L/kg) 5,028 Compound 1,4-Dichlorobenzene(p) mean Koc (L/kg) 687 Compound Methoxychlor mean Koc (L/kg) 80,000 Aldrin 48,686 1,1-Dichloroethane 54 Methyl bromide 9 Anthracene 24,362 1,2-Dichloroethane 44 Methyl chloride 6 1,1-Dichloroethylene 65 Methylene chloride trans-1,2-Dichloroethylene 38 Naphthalene 1,231 1,166,733 1,2-Dichloropropane 47 Nitrobenzene 141 76 1,3-Dichloropropene 27 Pentachlorobenzene 36,114 25,604 Pyrene 70,808 84 Styrene 912 Benz(a)anthracene Benzene Benzo(a)pyrene Bis(2-chloroethyl)ether Bis(2-ethylhexyl)phthalate Bromoform Butyl benzyl phthalate Carbon tetrachloride Chlordane Chlorobenzene Chloroform 459,882 66 114,337 126 14,055 158 51,798 Dieldrin Diethylphthalate 10 Di-n-butylphthalate 1,580 1,1,2,2-Tetrachloroethane Endosulfan 2,040 Tetrachloroethylene 272 Toluene 145 Endrin 11,422 260 Ethylbenzene 207 57 Fluoranthene 49,433 DDD 45,800 Fluorene DDE 86,405 DDT 792,158 Toxaphene 1,2,4-Trichlorobenzene 79 95,816 1,783 8,906 1,1,1-Trichloroethane 139 Heptachlor 10,070 1,1,2-Trichloroethane 77 Hexachlorobenzene 80,000 Trichloroethylene 97 Dibenz(a,h)anthracene 2,029,435 a-HCH (a-BHC) 1,835 o-Xylene 241 1,2-Dichlorobenzene(o) 390 b-HCH (b-BHC) 2,241 m-Xylene 204 g-HCH (Lindane) 1,477 p-Xylene 313 Retardation • Incorporate adsorbed solute mass R 1 r b Kd n V R Vs Sample problem: A tanker truck collision has resulted in a spill of 5000 L of the insecticide diazinon 2000 m from the City of Miami’s water supply wells. Use a rule of thumb to estimate the dispersivity for the plume that is carrying the contaminant from the spill site to the wells. Sample problem: The transmissivity determined from aquifer tests is 100,000 m2 d-1 and the aquifer thickness is 20 m. The head in wells 1000 m apart along the flow path is 3.1 and 3 m. What is the gradient? What is the mean pore water velocity and what is the dispersion coefficient? Sample problem: • • You look up the Koc value of diazinon (290 ml/g). The aquifer material you tested has an foc of 0.0001. What is the Kd? If the porosity is 50% and the bulk density is 1.5 Kg L-1, what is R? Assume retarded piston flow and estimate the arrival time of the insecticide at the well field using the appropriate data from the preceding problems. Retardation C C C v D 2 R x x t 2 Aquifer Tests • Theis Matching aquifer test data to the Theis type curve has resulted in the match point coordinates 1/u = 10, W(u) = 1, t = 83.9 minutes, and s =0.217 m. The pumping rate is 1 m3 min-1 and the observation well is 100 m away from the pumping well. Compute the aquifer transmissivity and storativity. Be sure to specify the units. Hints: T = Q/(4ps) W(u) S = 4Ttu/r2. Ghyben-Herzberg h z Pf = Ps rg(h+z) = rsgz r(h+z) = rsz rh = (rs-r z→ h r/(rs-r = z z Ghyben-Herzberg • • • • Seawater: 1.025 g cm-3 h r/(rs-r = z h 1/(1.05 - 1 = z h 40 = z Major Cations and Anions • Cations: – Ca2+, Mg2+, Na+, K+ • Anions: – Cl-, SO42-, HCO3- Chemical Concentration Conversions • Usually given ML-3 (e.g. g L-1 mg L-1) • Convert to mol L-1: molCa 2 1 10mgL Ca 2 . 5 10 molL 3 40 10 mgCa 1 2 • Convert to mol (+/-) L-1: 2mol ( ) 2 1 2.5 10 molCa L 5 10 mol ( ) L 2 molCa 2 2 1 Charge Balance Charge Balance ( ) ( ) ( ) ( ) Piper Diagrams Miami Beach GW and 1-7% Miami Beach sea water 100 EXPLANATION 1378.352602 +C l 0 2+ 2+ g SO 4 +M • Convert to % mol (+/-) 2+ Ca 2- - 35800 0 Mg 100 0 2- SO4 100 0 100 0 100 Ca 2+ 100 0 + + Na + K 0 100 100 0 2- - CO3 + HCO3 Cl - Stiff Diagrams http://water.usgs.gov/pubs/wri/wri024045/htms/report2.htm Redox Reactions • • • • • O2 (disappear) NO3- (disappear) Fe/Mn (appear in solution) SO42- (disappear) CH4 (appear)