http://dns2.asia.edu.tw/~ysho/YSHO-English/1000%20WC/PDF/Pro%20Bio34,%20451.pdf

Pseudo-second order model for sorption processes

PHREEQC version 2 is a computer program written in the C programming language that is designed to perform a wide variety of low-temperature aqueous geochemical calculations. PHREEQC is based on an ion-association aqueous model and has capabilities for (1) speciation and saturation-index calculations; (2) batch-reaction and onedimensional (1D) transport calculations involving reversible reactions, which include aqueous, mineral, gas, solidsolution, surface-complexation, and ion-exchange equilibria, and irreversible reactions, which include specified mole transfers of reactants, kinetically controlled reactions, mixing of solutions, and temperature changes; and (3) inverse modeling, which finds sets of mineral and gas mole transfers that account for differences in composition between waters, within specified compositional uncertainty limits. New features in PHREEQC version 2 relative to version 1 include capabilities to simulate dispersion (or diffusion) and stagnant zones in 1D-transport calculations, to model kinetic reactions with user-defined rate expressions, to model the formation or dissolution of ideal, multicomponent or nonideal, binary solid solutions, to model fixed-volume gas phases in addition to fixed-pressure gas phases, to allow the number of surface or exchange sites to vary with the dissolution or precipitation of minerals or kinetic reactants, to include isotope mole balances in inverse modeling calculations, to automatically use multiple sets of convergence parameters, to print user-defined quantities to the primary output file and (or) to a file suitable for importation into a spreadsheet, and to define solution compositions in a format more compatible with spreadsheet programs. This report presents the equations that are the basis for chemical equilibrium, kinetic, transport, and inverse modeling calculations in PHREEQC; describes the input for the program; and presents examples that demonstrate most of the program's capabilities.

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User's guide to PHREEQC (Version 2)-a computer program for speciation, batch-reaction, one-dimensional transport, and inverse geochemical calculations

http://netedu.xauat.edu.cn/jpkc/netedu/jpkc2009/szylyybh/content/wlzy/1/Review%20of%20Arsenic%20in%20natural%20water%20-%20Smedly.pdf

A review of the source, behaviour and distribution of arsenic in natural waters

The chemical composition of natural water is derived from many different sources of solutes, including gases and aerosols from the atmosphere, weathering and erosion of rocks and soil, solution or precipitation reactions occurring below the land surface, and cultural effects resulting from human activities. Broad interrelationships among these processes and their effects can be discerned by application of principles of chemical thermodynamics. Some of the processes of solution or precipitation of minerals can be closely evaluated by means of principles of chemical equilibrium, including the law of mass action and the Nernst equation. Other processes are irreversible and require consideration of reaction mechanisms and rates. The chemical composition of the crustal rocks of the Earth and the composition of the ocean and the atmosphere are significant in evaluating sources of solutes in natural freshwater. The ways in which solutes are taken up or precipitated and the amounts present in solution are influenced by many environmental factors, especially climate, structure and position of rock strata, and biochemical effects associated with life cycles of plants and animals, both microscopic and macroscopic. Taken together and in application with the further influence of the general circulation of all water in the hydrologic cycle, the chemical principles and environmental factors form a basis for the developing science of natural-water chemistry. Fundamental data used in the determination of water quality are obtained by the chemical analysis of water samples in the laboratory or onsite sensing of chemical properties in the field. Sampling is complicated by changes in the composition of moving water and by the effects of particulate suspended material. Some constituents are unstable and require onsite determination or sample preservation. Most of the constituents determined are reported in gravimetric units, usually milligrams per liter or milliequivalents

Study and Interpretation of the Chemical Characteristics of Natural Water

Anthropogenic pressures on the Earth System have reached a scale where abrupt global environmental change can no longer be excluded. We propose a new approach to global sustainability in which we define planetary boundaries within which we expect that humanity can operate safely. Transgressing one or more planetary boundaries may be deleterious or even catastrophic due to the risk of crossing thresholds that will trigger non-linear, abrupt environmental change within continental- to planetary-scale systems. We have identified nine planetary boundaries and, drawing upon current scientific understanding, we propose quantifications for seven of them. These seven are climate change (CO2 concentration in the atmosphere <350 ppm and/or a maximum change of +1 W m-2 in radiative forcing); ocean acidification (mean surface seawater saturation state with respect to aragonite ≥ 80% of pre-industrial levels); stratospheric ozone (<5% reduction in O3 concentration from pre-industrial level of 290 Dobson Units); biogeochemical nitrogen (N) cycle (limit industrial and agricultural fixation of N2 to 35 Tg N yr-1) and phosphorus (P) cycle (annual P inflow to oceans not to exceed 10 times the natural background weathering of P); global freshwater use (<4000 km3 yr-1 of consumptive use of runoff resources); land system change (<15% of the ice-free land surface under cropland); and the rate at which biological diversity is lost (annual rate of <10 extinctions per million species). The two additional planetary boundaries for which we have not yet been able to determine a boundary level are chemical pollution and atmospheric aerosol loading. We estimate that humanity has already transgressed three planetary boundaries: for climate change, rate of biodiversity loss, and changes to the global nitrogen cycle. Planetary boundaries are interdependent, because transgressing one may both shift the position of other boundaries or cause them to be transgressed. The social impacts of transgressing boundaries will be a function of the social-ecological resilience of the affected societies. Our proposed boundaries are rough, first estimates only, surrounded by large uncertainties and knowledge gaps. Filling these gaps will require major advancements in Earth System and resilience science. The proposed concept of "planetary boundaries" lays the groundwork for shifting our approach to governance and management, away from the essentially sectoral analyses of limits to growth aimed at minimizing negative externalities, toward the estimation of the safe space for human development. Planetary boundaries define, as it were, the boundaries of the "planetary playing field" for humanity if we want to be sure of avoiding major human-induced environmental change on a global scale.

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Planetary boundaries: Exploring the safe operating space for humanity

The Generalized Two--Layer Model. Experimental Data. Data Compilation and Treatment Methods. Properties of Hydrous Ferric Oxide, Cation Sorption on Hydrous Ferric Oxide. Anion Sorption on Hydrous Ferric Oxide. Use of the Model and Data Base. The Coulombic Effect. Coherence and Extrapolation of Results. References. Appendices. Author Index. Subject Index.

Surface Complexation Modeling: Hydrous Ferric Oxide

Presents aquatic chemistry in a way that is truly useful to those with diverse backgrounds in the sciences Major improvements to this edition include a complete rewrite of the first three background chapters making them user-friendly There is less emphasis on mathematics and concepts are illustrated with actual examples to facilitate understanding

Principles and Applications of Aquatic Chemistry

Because it is very toxic and accumulates in organisms, particularly in fish, mercury is an important pollutant and one of the most studied. Nonetheless we still have an incomplete understanding of the factors that control the bioconcentration of mercury. Elemental mercury is efficiently transported as a gas around the globe, and even remote areas show evidence of mercury pollution originating from industrial sources such as power plants. Besides elemental mercury, the major forms of mercury in water are ionic mercury (which is bound to chloride, sulfide, or organic acids) and organic mercury, particularly methylmercury. Methylmercury rather than inorganic mercury is bioconcentrated because it is better retained by organisms at various levels in the food chain. The key factor determining the concentration of mercury in the biota is the methylmercury concentration in water, which is controlled by the relative efficiency of the methylation and demethylation processes. Anoxic waters and sediments are an important source of methylmercury, apparently as the result of the methylating activity of sulfatereducing bacteria. In surface waters, methylmercury may originate from anoxic

/pdf/the-chemical-cycle-and-bioaccumulation-of-mercury-53npodz0gl.pdf

The chemical cycle and bioaccumulation of mercury

The formation of calcareous skeletons by marine planktonic organisms and their subsequent sinking to depth generates a continuous rain of calcium carbonate to the deep ocean and underlying sediments1 This is important in regulating marine carbon cycling and ocean–atmosphere CO2 exchange2 The present rise in atmospheric CO2 levels3 causes significant changes in surface ocean pH and carbonate chemistry4 Such changes have been shown to slow down calcification in corals and coralline macroalgae5,6, but the majority of marine calcification occurs in planktonic organisms Here we report reduced calcite production at increased CO2 concentrations in monospecific cultures of two dominant marine calcifying phytoplankton species, the coccolithophorids Emiliania huxleyi and Gephyrocapsa oceanica  This was accompanied by an increased proportion of malformed coccoliths and incomplete coccospheres Diminished calcification led to a reduction in the ratio of calcite precipitation to organic matter production Similar results were obtained in incubations of natural plankton assemblages from the north Pacific ocean when exposed to experimentally elevated CO2 levels We suggest that the progressive increase in atmospheric CO2 concentrations may therefore slow down the production of calcium carbonate in the surface ocean As the process of calcification releases CO2 to the atmosphere, the response observed here could potentially act as a negative feedback on atmospheric CO2 levels

/pdf/reduced-calcification-of-marine-plankton-in-response-to-43ko7hu336.pdf

François M. M. Morel

Papers

Surface Complexation Modeling: Hydrous Ferric Oxide

Principles and Applications of Aquatic Chemistry

The chemical cycle and bioaccumulation of mercury

Reduced calcification of marine plankton in response to increased atmospheric CO2.

The biogeochemical cycling of elemental mercury: Anthropogenic influences☆