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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Computational geosciences 2 (1998), S. 151-170 
    ISSN: 1573-1499
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Computer Science
    Notes: Abstract We present an approach developed to compute chemical equilibrium and its corresponding reactive chemical transport when dominating precipitated species (DPS) exist. In computing chemical equilibrium, most models take the concentrations or activities of component species and precipitated species as the master variables. However, when the amount of a precipitated species is much larger than those of other species, small computational errors on this DPS concentration might introduce large errors on the concentrations of other species and would cause non‐mass‐conserved numerical results. To deal with the existence of DPS, we pick as master variables the concentration change, rather than the concentration, of DPS to compute chemical equilibrium. Since the concentration changes of DPS will no longer be much larger than the concentrations of other species in determining equilibrium, our approach is able to provide correct numerical results. We also employ the modified total analytical concentrations, rather than the total analytical concentrations, of aqueous components as the dependent variables in presenting and solving corresponding transport equations. Several examples are given to reveal the numerical problems associated with DPS and to demonstrate the success of our approach.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    Journal of radioanalytical and nuclear chemistry 185 (1994), S. 319-329 
    ISSN: 1588-2780
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Energy, Environment Protection, Nuclear Power Engineering
    Notes: Abstract The kinetic and equilibrium sorption behaviors of Cs+ on mordenite, a zeolite which can sorb cesium well, were investigated by using the batch method. Cesium-137 and the stable CsNO3 were used as tracer and carrier to study the influences on Cs+ sorption behaviors by changing Cs+ initial concentration, pH value, particle size of mordenite and experimental temperature. The equilibrium was reached in 3 days and the saturated amount of cesium sorbed is about 0.19 kg Cs/kg NM. The sorption data at 25°C and 90°C were fitted to Freundlich sorption model and nonlinear isotherms were found. However, linear isotherm was applicable with a Cs+ initial concentration less than 10−3M. The decrease of Cs+ sorption at elevated temperature suggested the sorption reaction was exothermic. The use of centrifugation to separate the liquid from solid phases in traditional batch techniques was not suitable to the kinetic experiment of Cs sorbed by mordenite for lower concentrations.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 41 (1998), S. 499-526 
    ISSN: 0029-5981
    Keywords: multigrid method ; finite element discretization ; matrix consistency ; grid generation ; Engineering ; Numerical Methods and Modeling
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Increasing the efficiency of solving linear/linearized matrix equations is a key point to save computer time in numerical simulation, especially for three-dimensional problems. The multigrid method has been determined to be efficient in solving boundary-value problems. However, this method is mostly linked to the finite difference discretization, rather than to the finite element discretization. This is because the grid relationship between fine and coarse grids was not achieved effectively for the latter case. Consequently, not only is the coding complicated but also the performance is not satisfactory when incorporating the multigrid method into the finite element discretization. Here we present an approach to systematically prepare necessary information to relate fine and coarse grids regarding the three-dimensional finite element discretization, such that we can take advantage of using the multigrid method. To achieve a consistent approximation at each grid, we use A2h=I2hhAhIh2h and b2h=I2hh bh, starting from the composed matrix equation of the finest grid, to prepare the matrix equations for coarse grids. Such a process is implemented on an element level to reduce the computation to its minimum. To demonstrate the performance, this approach has been used to adapt two existing three-dimensional finite element subsurface flow and transport models, 3DFEMWATER and 3DLEWASTE, to their multigrid version, 3DMGWATER and 3DMGWASTE, respectively. Two example problems, one for each model, are considered for illustration. The computational result shows that the multigrid method can help solve the example problems very efficiently with our presented modular setting. © 1998 John Wiley & Sons, Ltd.
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 41 (1998), S. 587-615 
    ISSN: 0029-5981
    Keywords: Lagrangian-Eulerian methods ; three-dimensional transport equations ; adaptive local zooming ; peak/valley capturing ; slave point ; Engineering ; Numerical Methods and Modeling
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: We present a Lagrangian-Eulerian method with adaptively local ZOOMing and Peak/valley Capturing approach (LEZOOMPC), consisting of advection-diffusion decoupling, backward particle tracking, forward particle tracking, adaptively local zooming, peak/valley capturing, and slave point utilization, to solve three-dimensional advection-diffusion transport equations. This approach and the associated computer code, 3DLEZOOMPC, were developed to circumvent the difficulties associated with the Exact Peak Capturing and Oscillation-Free (EPCOF) scheme, developed earlier by the authors, when it was extended from a one-dimensional space to a three-dimensional space. The accurate results of applying EPCOF to solving two one-dimensional benchmark problems under a variety of conditions have shown the capability of this scheme to eliminate all types of numerical errors associated with the advection term and to keep the maximum computational error to be within the prescribed error tolerance. However, difficulties arose when the EPCOF scheme was extended to a multi-dimensional space mainly due to the geometry. To avoid these geometric difficulties, we modified the EPCOF scheme and named the modified scheme LEZOOMPC. LEZOOMPC uses regularly local zooming for rough elements and peak/valley capturing within subelements to resolve the problems of tetrangulation and boundary source as well as to preserve the shape of concentration distribution. In addition, LEZOOMPC employs the concept of ‘slave points’ to deal with the compatibility problem in the diffusion zooming of the Eulerian step. As a result, not only is the geometrical problem resolved, but also the spirit of EPCOF is retained. Application of 3DLEZOOMPC to solving an advection-decay and a boundary source benchmark problems indicates its capability in solving advection transport problems accurately to within any prescribed error tolerance by using mesh Courant number ranging from 0 to infinity. Demonstration of using 3DLEZOOMPC to solve an advection-diffusion benchmark problem shows how the numerical solution is improved with the increment of the diffusion zooming factors. 3DLEZOOMPC could solve advection-diffusion transport problems accurately by using mesh Peclet numbers ranging from 0 to infinity and very large time-step size. The size of time-step is related to both the diffusion coefficients and mesh sizes. Hence, it is limited only by the diffusion solver. The application of this approach to a two-dimensional space has been demonstrated earlier in the paper entitled ‘A Lagrangian-Eulerian method with adaptively local zooming and peak/valley capturing approach to solve two-dimensional advection-diffusion transport equations’. © 1998 John Wiley & Sons, Ltd.
    Additional Material: 16 Ill.
    Type of Medium: Electronic Resource
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