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Modelling waters

Appendix A in the Appendix folder contains three models water methanol and hydrogen chloride... [Pg.1264]

Mechanical Properties. Although wool has a compHcated hierarchical stmcture (see Fig. 1), the mechanical properties of the fiber are largely understood in terms of a two-phase composite model (27—29). In these models, water-impenetrable crystalline regions (generally associated with the intermediate filaments) oriented parallel to the fiber axis are embedded in a water-sensitive matrix to form a semicrystalline biopolymer. The parallel arrangement of these filaments produces a fiber that is highly anisotropic. Whereas the longitudinal modulus of the fiber decreases by a factor of 3 from dry to wet, the torsional modulus, a measure of the matrix stiffness, decreases by a factor of 10 (30). [Pg.342]

Guide to the application and interpretation of the model water byelaws (1986 Edition), Ellis Harwood Limited, Publishers, Byelaw 52, 120. [Pg.362]

In some Orsat apparatus models, water vapor may also be determined hydrogen may also be determined by its oxidation to water vapor. [Pg.694]

The existing tools to carry out an IWRM may include hydraulic and hydrological models, water quality models as well as knowledge bases containing the necessary knowledge for the optimal management of water resources. Besides, these tools... [Pg.134]

Zhang Q, Stanley SJ (1997) Eorecasting raw-water quality parameters for the North Saskatchewan River by neural network modelling. Water Res 31 2340-2350... [Pg.145]

Pelletier GJ, Chapra SC, Tao H (2006) QUAL2Kw - a framework for modelling water quality in streams and rivers using a genetic algorithm for calibration. Environ Modell Softw 21 419-425... [Pg.145]

Albanis TA, Pomonis PJ, Sdoukos AT. 1988a. Describing movement of three pesticides in soil using a CSTR in series model. Water Air Soil Pollut 39 293-302. [Pg.192]

The square cell is convenient for a model of water because water is quadrivalent in a hydrogen-bonded network (Figure 3.2). Each face of a cell can model the presence of a lone-pair orbital on an oxygen atom or a hydrogen atom. Kier and Cheng have adopted this platform in studies of water and solution phenomena [5]. In most of those studies, the faces of a cell modeling water were undifferentiated, that is no distinction was made as to which face was a lone pair and which was a hydrogen atom. The reactivity of each water cell was modeled as a consequence of a uniform distribution of structural features around the cell. [Pg.41]

The values for the lipid molecules compare well (althoughJgiey are still somewhat larger) with the experimental value of 1.5x10 cm /s as measured with the use of a nitroxide spin label. We note that the discrepancy of one order of magnitude, as found in the previous simulation with simplified head groups, is no longer observed. Hence we may safely conclude that the diffusion coefficient of the lipid molecules is determined by hydrodynamic interactions of the head groups with the aqueous layer rather than by the interactions within the lipid layer. The diffusion coefficient of water is about three times smaller than the value of the pure model water thus the water in the bilayer diffuses about three times slower than in the bulk. [Pg.117]

AU experiments to be described below are interpreted on the basis of the Langmuir-Hinshelwood (LH) mechanism for CO electro-oxidation suggested by GUman more than 40 years ago [Gihnan, 1964]. According to GUman s model, water needs to be activated on a free site on the surface, leading to surface-bonded OH ... [Pg.161]

Carroll J, Harms IH. 1999. Uncertainty analysis of partition coefficients in a radionuclide transport model. Water Res 33(11) 2617-2626. [Pg.230]

Bachmat, Y., J. Bredehoeft, B. Andrews, D. Holtz and S. Sebastian (1980). Groundwater management the use of numerical models. Water Resources Monograph 5. American Geophysical Union, Washington, DC. 127 pp. [Pg.64]

Jury, W.A. (1982). Simulation of solute transport using a transfer function model. Water Resources Research 18(2), pp. 363-368. [Pg.64]

Donigian, A.S., Jr., J.C. Imhoff and B.R. Bricknell. Modeling Water Quality and the Effects of Best Management Practices in Four Mile Creek, Iowa. Draft report on contract 68-03-2895, for U.S. EPA, Athens, GA. 1981. [Pg.150]

From the starting structures (PDB file), the full complement of hydrogens is added using a utility within CHARMM. The entire protein is then solvated within a sphere of TIP3P model waters, with radius such that all parts of the protein were solvated to a depth of at least 5 A. A quartic confining potential localized on the surface of the spherical droplet prevented evaporation of any of the waters during the course of the trajectory. The fully solvated protein structure is energy minimized and equilibrated before the production simulation. [Pg.313]

Chin, Y.P., Weber Jr., W.J., Voice, T.C. (1986) Determination of partition coefficient and water solubilities by reversed phase chromatography. II. Evaluation of partitioning and solubility models. Water Res. 20, 1443-1450. [Pg.903]

Yilmaz KK, Gupta HV, Wagener T (2008) A process-based diagnostic approach to model evaluation application to the NWS distributed hydrologic model. Water Resour Res 44(9) W09417. doi 10.1029/2007WR006716... [Pg.76]

Figure 24.3 compares the calculated composition of the evaporated water, concentrated 100-fold and 1000-fold, with analyses of waters from six saline alkaline lakes (compiled by Garrels and Mackenzie, 1967). The field for the modeled water overlaps that for the analyzed waters, except that Ca++ and Mg++ are more depleted in the model than in the lake waters. This discrepancy might be explained if in nature the calcite and sepiolite begin to precipitate but remain supersaturated in the fluid. [Pg.361]

Steefel, C. I. and P. Van Cappellen, 1990, A new kinetic approach to modeling water-rock interaction, the role of nucleation, precursors, and Ostwald ripening. Geochimica et Cosmochimica Acta 54,2657-2677. [Pg.530]

Deeth et al. have used density functional theory (DFT) to model water exchange on square-planer [Pd(H20)4]2+ and [Pt(H20)4]2+ (212). Their calculations strongly support that H20 exchange on these complexes proceeds through an a-activation mechanism, in full agreement with experimental assignments. The agreement between the experimental and calculated activation enthalpy is better than lOkJmol-1 for an Ia mechanism, whereas it differs by more than 100 kJ mol-1 for a calculated Id mechanism. [Pg.39]

Runkel, R.L., Bencala, K.E., Broshears, R.E., Chapra, S.C. 1996. Reactive solute transport in streams 1. Development of an equilibrium-based model. Water Resources Research, 32, 409-418. [Pg.253]

Kappeler, J. and W. Gujer (1992), Estimation of kinetic parameters of heterotrophic biomass under aerobic conditions and characterization of wastewater for activated sludge modelling, Water Sci. Tech., 25(6), 125-139. [Pg.126]

Vollertsen, J. and T. Hvitved-Jacobsen (1998), Aerobic microbial transformations of resuspended sediments in combined sewers — A conceptual model, Water Sci.Tech., 37(1), 69-76. [Pg.127]

Warfvinge, P., Sverdrup, H. (1992). Calculating critical loads of acid deposition with PROFILE-A steady-state soil chemistry model. Water, Air and Soil Pollution, 63, 119-143. [Pg.438]

Errecalde, O., Seidl, M. and Campbell, P. G. C. (1998). Influence of a low molecular weight metabolite (citrate) on the toxicity of cadmium and zinc to the unicellular green alga Selenastrum capricornutum an exception to the free-ion model, Water Res., 32, 419 -29. [Pg.201]

Corapcioglu, M. Y. and Baehr, A. L., 1985, Immiscible Contaminant Transport in Soils and Groundwater with an Emphasis on Gasoline Hydrocarbons System of Differential Equations vs. Single Cell Model Water Science and Technology, Vol. 17, No. 9, pp. 23-37. [Pg.163]

Steefel, C. I., and Ph. Van Cappellen (1990), "A New Kinetic Approach to Modelling Water Rock Interaction The Role of Nucleation, Precursors, and Ostwald Ripening", Geochim. Cosmochim. Acta 54, 2657. [Pg.242]

Postma, D., C. Boesen, H. Kristiansen, and F. Larsen (1991), "Nitrate Reduction in an Unconfined Sandy Aquifer Water Chemistry, Reduction Processes, and Geochemical Modeling", Water Resources Research 27/8, 2027-2045. [Pg.336]


See other pages where Modelling waters is mentioned: [Pg.281]    [Pg.389]    [Pg.137]    [Pg.42]    [Pg.855]    [Pg.200]    [Pg.50]    [Pg.88]    [Pg.86]    [Pg.451]    [Pg.190]   
See also in sourсe #XX -- [ Pg.15 ]




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A Cellular Automata Model of Water

A One-Dimensional Model for Water

A Prototype of an Interstitial Lattice Model for Water

A Prototype of an Interstitial Model for Water

A Simple Model for Light-Driven Water-Splitting Reaction

Advection-Diffusion Model water column

Air-Water Exchange Models

An Appropriate Model for Water Molecule Orientation

Application of an Interstitial Model for Water to Aqueous Solutions

Application of the Mixture-Model Approach to Water

Bell-Lavis water model

Bio-molecular simulation water models

Biomolecular simulations, water models

Bjerrum model for water

Breaking probability water model

Bulk water modeling

Cluster liquid water model

Cold water modeling

Composite models, liquid water

Contaminant-transport models ground water

DMPC-water model

Dang-Chang water model

Detailed Kinetic Model for Ammonia and Water Storage

Dissolved Oxygen Modeling in Surface Waters

Donor-acceptor interactions of the model water molecule

Dual-water model

Equilibrium models of natural waters

Explicit Models for Water Molecules

FATO molecular mechanics of oxygen atom. Model water molecule

Flexible water models

Flickering cluster model of liquid water

Flickering cluster model of water

Flickering clusters water model

Force Field Models for the Simulation of Liquid Water

Force field models, empirical water simulation

Generalization to any mixture model of water

Geochemical modeling of water-rock

Geochemical modeling of water—rock interactions

Glass/water reactivity models

Ground water field validation models

Group contribution models 1 -octanol-water partition coefficient

Harmonic oscillator model liquid water

Heavy water composite model

Heavy water model

Hot water modeling

Iceberg water model

Implicit water models

Interstitial model For water

Joining parameter water model

Lattice model of water iBA mixtures

Limitations of the Water Sorption Model

Liquid modeling liquids other than water

Liquid modeling water model

Liquid water models Hamiltonian systems

Liquid water models molecular systems

Liquid water models regularity

Membrane models octanol-water system

Membrane models solvent-water systems

Membrane permeability modeling water permeation

Membrane permeability modeling water-surface effects

Model compounds water

Model of a Water

Model of a Water Molecule

Model water treatment

Model, water molecule

Modeling drinking water

Modeling of Drinking Water Oxidation

Modeling of Waste Water Oxidation

Modeling of water

Modeling the Solubility in Water

Modeling water balance models

Modeling water quality

Modeling water splitting

Modelling glass/water reactivity

Modelling of Water

Modelling rock-water buffering

Modelling the Water Level in a Tank

Modelling the diffusion coefficient D for solvents other than water

Modelling the diffusion coefficient D for water as solvent

Models for Water

Models ground water

Models of Water Derivation and Description

Models of water

Models water-surface effects modeling

Molecular model liquid water

Molecular modeling water models

Molecular water probe model

Oxygen-evolving complex water oxidation model system

Parameterisation, water model

Partial modeling, water

Percolation model of water

Pesticide Root Zone Model water

Polymorphic water model systems

Pore water chemistry modeling

Potential models of water

Primitive model for water

Random walk model water

Reaction modeling water analysis

Reaction modeling water matrix

Real-time dynamics of electron migration in a model water cluster anion system

Reconciliation of Apparent Contradictions in the Diffusion Model for Water Radiolysis According to Schwarz

Reversed micelles open water-channel model

Rigid water model

Role of Water in Radical Reactions Molecular Simulation and Modelling

SPC water model

SPC/E model of water

SPC/E water model

ST2 water models

Self-diffusion (water model

Setting reaction model 139 water states

Simple point charge extended water model

Simple point charge model, water

Solubility of Organic Molecules in Water Using a Surface Tension—Cavity Model System

Solvation of hard rods in the primitive model for water

Some concluding remarks regarding the 1-D model for water

Sprik-Klein water model

Stillinger water model

Structural model of liquid water

Summary of Chemical Models for Drinking Water

THE STILLINGER-DAVID WATER MODEL

TIP3P water model

TIP4P water model

TIP5P water model

Tethered water model

The Mixture-Model Approach to Liquid Water

The Water-Replacement Model of Bockris, Devanathan and Muller

The physical model of water-like particles in two dimensions

The primitive cluster model for water and its partition function

Thermodynamics water models

Transitions model protein-water systems

Transitions model proteins, water

VSEPR Water” molecule model

Waste water neutralization modeling

Water Bernal-Fowler model

Water Nemethy-Scheraga model

Water Pauling model

Water Pople model

Water T1P3P model

Water VSEPR model

Water balance models

Water budget model

Water channel models

Water column model

Water decomposition modeling

Water dipole model

Water exchange models

Water force field models

Water hydrogen-bond model

Water lattice models

Water liquid, models

Water mixture model approach

Water model

Water model

Water model dimensionality

Water model evaporation example

Water model example

Water model experimental design

Water model grids

Water model modeling

Water model modeling

Water model movement rules

Water model recorded attributes

Water model room temperature example

Water model statistical considerations

Water model system

Water models 404 Subject

Water models effective fragment potential

Water models five-site

Water models four-site

Water models methods

Water models model

Water models model

Water models reference interaction site model

Water molecular interactions model

Water molecular modeling

Water molecular models

Water molecular structure models

Water network modeling

Water orbital model

Water oxidation complex model system

Water point-charge models

Water polarizable models

Water purification model analysis

Water purification model component

Water quality models

Water random network model

Water sorption model

Water sorption pore model

Water spectra model parameters

Water spectra molecular modeling

Water stripping model

Water structure continuum models

Water structure mixture models

Water structure, modeling

Water vapor adsorption model

Water vapor modeling

Water, explicit model

Water, mixture model

Water, theories Lattice model

Water, theories three dimensional models

Water-filled nanopore model

Water-rock interaction modeling

Water-surface effects modeling

Water-surface effects modeling chromatography model

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