Calculating numerical covariances step 4 Values of ln Tx Cokriging the transmissivity step 5

ln T at a very fine scale over the entire field. From this almost continuous ln T field, two sets of ln T values are required for the cokriging equations. Firstly, the ln T values at the points to be estimated need to be selected. These points, which normally constitute a regular grid, will be denoted by the coordinate vector x i ¼ x i , y i . Sec- ondly, the ln T value associated to each point x a must be obtained where x a ¼ x a ,y a represents the location of the experimental transmissivity data. This involves regrouping the simulated punctual ln T values around x a to form a value that is representative of the zone of influence of the given well test. This point, the regularized nature of the transmis- sivity data, will be discussed in more detail in Section 4.1.

2.2 Numerical hydraulic head calculation steps 2 and 3

The hydraulic head field corresponding to a given transmis- sivity simulation is obtained via a numerical flow simulator that, in our case, is based on a finite differences algorithm. A slight modification 19 to the standard finite differences algorithm, based on the direct entry of interface transmis- sivities into the finite differences flow model, is used and leads to the resulting hydraulic head fields being globally unbiased 20 . That is, the flux generated by the resulting head field is equal to that of the equivalent homogeneous aquifer, the equivalent transmissivity being equal to the geometric mean in our case. Each interface transmissivity is calculated as the local equivalent transmissivity from one grid mesh centre to the next. The numerical flow simulator then pro- duces a punctual hydraulic head H value assigned at the centre of each discrete grid mesh. Given that our particular case study lends itself to be modelled in two-dimensional steady-state flow, the diffu- sion equation solved by the numerical flow simulator is: div{T x , y grad H x , y } þ Q x , y ¼ where Q is the effective recharge assumed to be known. From this equation, we propose to use the variations, denoted by f, of the hydraulic head about its mean h as the second variable of interest. These local variations best reflect the influence of local variations of the log-transmis- sivity. The value of the hydraulic head itself essentially provides the global form of the flow that somewhat masks the influence of the smaller-scale head variations which result from the local variations of the log-transmis- sivity ln T. The mean hydraulic head, hx ¼ EHx, can be calcu- lated at each finite differences grid node as the average head value over the series of independent head simulations. The value of the head variation f is then obtained as the difference between the hydraulic head and its mean: fx ¼ H x ¹ hx. Variographic studies of the head perturba- tion 12,8,21 show it to vary in a much smoother fashion than ln T. This smoothness justifies calculating f at the experi- mental hydraulic head data points x b by a simple linear interpolation of the four nearest grid node f values. 3 THE NUMERICALLY OBTAINED COKRIGING SYSTEM

3.1 Calculating numerical covariances step 4 Values of ln Tx

i at the points to be estimated, as well as the ln Tx a and fx b values at the experimental data points have been obtained for each joint flow simulation. Over a series of such simulations, the direct and cross covariances required for estimation by cokriging can be numerically calculated for each pair of points considered. The covariance of f between two experimental points: Cov{fx b ,fx b 9 } ¼ c f b; b9 is presented as an example: c f b , b 9 ¼ 1 N X N k ¼ 1 f k x b ¹ ¯ f x b f k x b 9 ¹ ¯ f x b 9 where ¯ f x b ¼ 1 N X N k ¼ 1 f k x b ð 1Þ where N is the number of independent joint flow simula- tions, and ¯ f x b the numerical average of f at the point x b calculated over the N simulations. By analogy, the other direct covariances Cov{ln Tðx a Þ ,ln Tðx a 9 Þ } ¼ c ln T a,a9 and Cov{ln Tðx a ,ln Tðx i Þ } ¼ c ln T a,x i and the two cross covariances Cov{fx b ,ln Tðx a } ¼ c f ,ln Tb,a and Cov{fðx b Þ ,ln Tðx i Þ } ¼ c f ,ln Tb,x i are obtained to provide all the necessary elements to estimate the transmissivity by cokriging.

3.2 Cokriging the transmissivity step 5

A quick reminder of the cokriging CK procedure is pre- sented for the example where ln T is estimated at the point x . The estimator is given by: ln T x CK ¼ X a l a ln T x a þ X b u b f x b 2 where the l a and u b the unknown cokriging weights assigned to the experimental values of ln T and f, respec- tively, are specific to the point x to be estimated. If the covariance matrices are denoted by C ¼ [c ij ], then these weights are obtained by solving the following linear cokriging system: C ln T a , a 9 C f , ln T b , a 9 1 C ln T;f a , b 9 C f b , b 9 1 1 1 2 6 6 6 6 6 6 4 3 7 7 7 7 7 7 5 l a u b q t 2 6 6 6 6 6 6 4 3 7 7 7 7 7 7 5 ¼ C ln T x , a 9 C ln T;f x , b 9 1 2 6 6 6 6 6 6 4 3 7 7 7 7 7 7 5 Combining geostatistics and flow simulators to identify transmissivity 557 where the Lagrange multipliers q and t are introduced to ensure that the estimation is unbiased. Besides the esti- mated value, the stochastic framework of cokriging theory also provides the associated estimation variance j x CK 2 ¼ Var{ln Tx ¹ ln Tðx Þ CK }. j x 2 CK ¼ c ln T x , x ¹ X a l a c ln T x , a ¹ X b u b c f , ln T b , x ¹ q ¹ t ð 3Þ This estimation variance is guaranteed to be non-negative when cokriging covariance matrix is positive semi- definite 22 . This condition, automatically verified when using standard analytical covariance models, is also satis- fied for numerical covariances calculated from expressions like eqn 1, as will be shown for the submatrix C f ¼ Cov{f x b , f x b 9 }. The matrix C f is defined as posi- tive semi-definite if, for any vector y, it can be shown that y T C f y is non-negative. According to eqn 1 we can write: y T C f y ¼ 1 N X N k ¼ 1 X b y b f k x b ¹ ¯ f x b X b 9 y b 9 f k x b 9 ¹ ¯ f x b 9 ¼ 1 N X N k ¼ 1 X b y b f k x b ¹ ¯ f x b 2 , ; vectors y where again N is the number of independent simulations. Hence C f is positive semi-definite. This proof can be generalized to show that the whole cokriging covariance matrix is positive semi-definite, which guarantees that the numerical cokriging system is itself valid. This all- important property is ensured because the same number of independent calculation pairs equal to the number of simulations is used to obtain the numerical covariances. 4 THE CASE STUDY The case study is a sandy aquifer located in the north of France. While this aquifer represents part of the regional water table, hydrogeologically speaking, it can be treated as an individual entity. The principal sources of effective recharge are from rainfall where the aquifer is unconfined and overlaid by sandy formations, and from the adjoining aquifers further upstream. The aquifer, while unconfined for the most part, is occasionally confined above by a layer of clay. Another clay layer separates the aquifer in question from other underlying aquifers. Fig. 1 shows the aquifer, its location and the boundary conditions as input into the numerical flow simulator. The shaded grey zones represent the location of impermeable boundaries, while the remain- der are prescribed head boundaries. Also, the presence of a few gullies inside the domain imposes the maximum head value there. The 458 rotation is made so that the main direc- tions of anisotropy of the transmissivity variogram, as dis- cussed in Section 4.1, are along the horizontal and vertical. Fig. 1. Aquifer case study with boundary conditions: 41 transmissivity data X and 153 hydraulic head measurements þ . 558 C. Roth et al. The simulation grid and finite differences grid are aligned to the new axes after this rotation. It is the flexibility of the methodology based on joint flow simulations, as opposed to analytical models, that allows these complex physical features of the aquifer to be taken into account. The irregular boundary conditions, the effec- tive recharge, and the impermeability of overlying geologi- cal layers are all used as supplementary information by the numerical flow simulator during the calculation of each hydraulic head field. The subject of numerous geological and hydrogeological studies, this aquifer has been very well sampled. The position of the 41 transmissivity values and the 153 hydraulic head measurements is also shown in Fig. 1. The transmissivity ranges from 2 3 10 ¹ 6 to 1.3 3 10 ¹ 3 m 2 s with an average value of 2.1 3 10 ¹ 4 m 2 s.

4.1 Variographic analysis of the log-transmissivity