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Jacob Rubin

Publications and source records attributed to Jacob Rubin.

11 recordsLinked to original sources
USGS2010

Solute transport with multisegment, equilibrium-controlled, classical reactions: Problem solvability and feed forward method's applicability for complex segments of at most binary participants

The feed forward (FF) method derives efficient operational equations for simulating transport of reacting solutes. It has been shown to be applicable in the presence of networks with any number of homogeneous and/or heterogeneous, classical reaction segments that consist of three, at most binary participants. Using a sequential (network type after network type) exploration approach and, independently, theoretical explanations, it is demonstrated for networks with classical reaction segments containing more than three, at most binary participants that if any one of such networks leads to a solvable transport problem then the FF method is applicable. Ways of helping to avoid networks that produce problem insolvability are developed and demonstrated. A previously suggested algebraic, matrix rank procedure has been adapted and augmented to serve as the main, easy-to-apply solvability test for already postulated networks. Four network conditions that often generate insolvability have been identified and studied. Their early detection during network formulation may help to avoid postulation of insolvable networks.

Water Resources Research↗
USGS2010

Solute transport with multiple equilibrium-controlled or kinetically controlled chemical reactions

A new approach is applied to the problem of modeling solute transport accompanied by many chemical reactions. The approach, based on concepts of the concentration space and its stoichiometric subspaces, uses elements of the subspaces as primary dependent variables. It is shown that the resulting model equations are compact in form, isolate the chemical reaction expressions from flow expressions, and can be used for either equilibrium or kinetically controlled reactions. The implications of the results on numerical algorithms for solving the equations are discussed. The application of the theory is illustrated throughout with examples involving a simple but broadly representative set of reactions previously considered in the literature. Numerical results are presented for four interconnected reactions: a homogeneous complexation reaction, two sorption reactions, and a dissolution/precipitation reaction. Three cases are considered: (1) four kinetically controlled reactions, (2) four equilibrium-controlled reactions, and (3) a system with two kinetically controlled reactions and two equilibrium-controlled reactions.

Water Resources Research↗
USGS2010

Transport of reacting solutes in porous media: Relation between mathematical nature of problem formulation and chemical nature of reactions

Examples involving six broad reaction classes show that the nature of transport-affecting chemistry may have a profound effect on the mathematical character of solute transport problem formulation. Substantive mathematical diversity among such formulations is brought about principally by reaction properties that determine whether (1) the reaction can be regarded as being controlled by local chemical equilibria or whether it must be considered as being controlled by kinetics, (2) the reaction is homogeneous or heterogeneous, (3) the reaction is a surface reaction (adsorption, ion exchange) or one of the reactions of classical chemistry (e.g., precipitation, dissolution, oxidation, reduction, complex formation). These properties, as well as the choice of means to describe them, stipulate, for instance, (1) the type of chemical entities for which a formulation's basic, mass-balance equations should be written; (2) the nature of mathematical transformations needed to change the problem's basic equations into operational ones. These and other influences determine such mathematical features of problem formulations as the nature of the operational transport-equation system (e.g., whether it involves algebraic, partial-differential, or integro-partial-differential simultaneous equations), the type of nonlinearities of such a system, and the character of the boundaries (e.g., whether they are stationary or moving). Exploration of the reasons for the dependence of transport mathematics on transport chemistry suggests that many results of this dependence stem from the basic properties of the reactions' chemical-relation (i.e., equilibrium or rate) equations.

Water Resources Research↗
USGS2010

Direct comparison of kinetic and local equilibrium formulations for solute transport affected by surface reactions

Modeling transport of reacting solutes in porous media often requires a choice between models based on the local equilibrium assumption (LEA) and models involving reaction kinetics. Direct comparison of the mathematical formulations for these two types of transport models can aid in this choice. For cases of transport affected by surface reaction, such a comparison is made possible by a new derivation procedure. This procedure yields a kinetics-based formulation that is the sum of the LEA formulation and one or more kinetically influenced terms. The dimensionless form of the new kinetics-based formulation facilitates identification of critical parameter groupings which control the approach to transport behavior consistent with LEA model predictions. Results of numerical experiments demonstrate that criteria for LEA applicability can be expressed conveniently in terms of these parameter groupings. The derivation procedure is demonstrated for examples of surface reactions including first-order reversible sorption, Langmuir-type kinetics and binary, homovalent ion exchange.

Water Resources Research↗
USGS2010

Transport of reacting solutes subject to a moving dissolution boundary: Numerical methods and solutions

A moving boundary problem which arises during transport with precipitation-dissolution reactions is solved by three different numerical methods. Two of these methods (one explicit and one implicit) are based on an integral formulation of mass balance and lead to an approximation of a weak solution. These methods are compared to a front-tracking scheme. Although the two approaches are conceptually different, the numerical solutions showed good agreement. As the ratio of dispersion to convection decreases, the methods based on the integral formulation become computationally more efficient. Specific reactions were modeled to examine the dependence of the system on the physical and chemical parameters. Although the water flow rate does not explicitly appear in the equation for the velocity of the moving boundary, the speed of the boundary depends more on the flux rate than on the dispersion coefficient. The discontinuity in the gradient of the solute concentration profile at the boundary increases with convection and with the initial concentration of the mineral. Our implicit method is extended to allow participation of the solutes in complexation reactions as well as the precipitation-dissolution reaction. This extension is easily made and does not change the basic method.

Water Resources Research↗
USGS2010

Water content dependence of trapped air in two soils

An improved air pycnometer method was used to examine the water content dependence of trapped-air volumes in two repacked, nonswelling soils. Trapped-air volumes were determined at a series of hydrostatic equilibrium stages which were attained during water pressure-controlled wetting and drying cycles over a range of 0 to −10 kPa for a sand and 0 to −20 kPa for a loam. Small pressure perturbations, between 0.2 and 0.6 kPa, were used in the air pycnometer method. Volumes of trapped air obtained at each hydrostatic equilibrium stage were independent of perturbation level and remained relatively constant over the time required to make repeated determinations. In contrast with most of the results obtained in previous studies, which often showed irregular relations, in this study the volume fraction of trapped air was found to be a regular, monotonically increasing (though possibly hysteretic) function of water content. For the soils studied, the function definitely exceeded zero only at water contents greater than 70% of saturation. However, during the initial drying from complete water saturation, the volume fraction of trapped air was virtually zero. Air trapping influenced the water retention curves significantly only at water contents higher than about 60% of saturation. Except at zero water pressure, however, not all of the differences between the initial and the other drying retention curves were accounted for by observed differences in trapped-air volumes. Air trapping was not required for the onset of hysteresis in the water retention relation for the cases studied, i.e., when drying-to-wetting reversals were imposed at about 27% and 40% of saturation for the sand and loam soils, respectively.

Water Resources Research↗
USGS2010

Air permeability and trapped-air content in two soils

To improve understanding of hysteretic air permeability relations, a need exists for data on the water content dependence of air permeability, matric pressure, and air trapping (especially for wetting-drying cycles). To obtain these data, a special instrument was designed. The instrument is a combination of a gas permeameter (for air permeability determination), a suction plate apparatus (for retentivity curve determination), and an air pycnometer (for trapped-air-volume determination). This design allowed values of air permeability, matric pressure, and air trapping to be codetermined, i.e., determined at the same values of water content using the same sample and the same inflow-outflow boundaries. Such data were obtained for two nonswelling soils. The validity of the air permeability determinations was repeatedly confirmed by rigorous tests of Darcy's law. During initial drying from complete water saturation, supplementary measurements were made to assess the magnitude of gas slip. The extended Darcy equation accurately described the measured flux gradient relations for each condition of absolute gas pressure tested. Air permeability functions exhibited zero-permeability regions at high water contents as well as an abruptly appearing hysteresis at low water contents. Measurements in the zero-permeability regions revealed that the total amount of air in general exceeded the amount of trapped air. This indicates that the medium' s air space is partitioned into three measurable domains: through-flowing air, locally accessible air (i.e., air accessible from only one flow boundary), and trapped air. During repeated wetting and drying, the disappearance and reappearance of air permeability coincided closely with the reappearance and disappearance, respectively, of trapped air. The observed relation between critical features of the air permeability functions and those of the air-trapping functions suggest that water-based blockages play a significant role in the disruption of gas-phase connectivity and in preventing air flow, and must be considered in any effectual model of air permeability relations.

Water Resources Research↗
USGS2010

Solute transport with multisegment, equilibrium-controlled reactions: A feed forward simulation method

The feed forward method (FF method) is one of the ways of formulating operational equations which simulate transport of solutes influenced by equilibrium-controlled reaction networks. The FF method provides increased solution efficiency by adapting its formulations to some of the network's fundamental features. In this study the FF method is further developed by adapting and testing it for a variety of network conditions. Classes of homogeneous, classical heterogeneous, and ion exchange network segments are studied. Networks may contain only a single class of segments or they may involve two or three segment classes. The FF method is found applicable to all the cases tested. In only one of these cases, for the more complex configurations of network segments, the FF method does not attain all of its objectives. A systematic, stepwise approach to method development is employed. It reveals, for certain subnetworks, an a priori inadmissibility, irrespective of the method used, and, for some other networks, an a priori irrelevance to transport dynamics. It also demonstrates that when certain subnetworks, belonging to different segment classes, form a single network, synergism (or antagonism) may occasionally arise and decrease (or increase) the difficulty of solving the transport problem.

Water Resources Research↗
USGS1986

Transport of chloride ion in a water-unsaturated soil exhibiting anion exclusion

Miscible displacement techniques were used to create Cl - concentration profiles in unsaturated laboratory columns of Delhi sand (Typic Xeropsamments), each having a nearly uniform water content. The three steady flow rates used resulted in three different, average water contents. Chloride concentrations near the top of the column were smaller and penetration of Cl - in the column was deeper than expected assuming that Cl - is a noninteracting solute. Such observations indicate the presence of anion exclusion. This interpretation is further substantiated by chloride and tritium breakthrough curves obtained from a saturated column of the same soil. The saturated experiments show that tritium occupies the entire measured pore volume of the column, but that Cl - is restricted to a smaller pore volume. The formulation of the conventional convection-dispersion theory for solute transport in soil which includes anion exclusion resulted in model calculations that fitted the unsaturated Cl - concentration profiles quite well. The dispersion coefficients obtained for the unsaturated profiles increase with water velocity and are lower than those previously reported for comparable water velocities in the same but saturated soil. The dispersivity of the unsaturated soil is also smaller than that reported for the saturated soil. For the experimental conditions used, the effective Cl - exclusion volume was found to be independent of water content and velocity and occupied about ten percent of the unsaturated water content.

Soil Science Society of America Journal↗
USGS1986

Numerical simulation of advective-dispersive multisolute transport with sorption, ion exchange and equilibrium chemistry

A model was developed that can simulate the effect of certain chemical and sorption reactions simultaneously among solutes involved in advective-dispersive transport through porous media. The model is based on a methodology that utilizes physical-chemical relationships in the development of the basic solute mass-balance equations; however, the form of these equations allows their solution to be obtained by methods that do not depend on the chemical processes. The chemical environment is governed by the condition of local chemical equilibrium, and may be defined either by the linear sorption of a single species and two soluble complexation reactions which also involve that species, or binary ion exchange and one complexation reaction involving a common ion. Partial differential equations that describe solute mass balance entirely in the liquid phase are developed for each tenad (a chemical entity whose total mass is independent of the reaction process) in terms of their total dissolved concentration. These equations are solved numerically in two dimensions through the modification of an existing groundwater flow/transport computer code. (Author 's abstract)

Water-Resources Investigations Report↗