Dechlorination ability of municipal waste incineration fly ash for polychlorinated phenols

Pathways of pentachlorophenol dechlorination have been investigated on municipal waste incineration fly ash at 200 degrees C under nitrogen atmosphere. Thermodynamic calculations have been carried out for these dechlorination conditions using the method of total Gibbs energy minimization for the whole system consisting of gaseous components, i.e., chlorinated phenols, phenol, hydrogen chloride and the Cu3Cl3 trimer and of solid Cu2O and CuCl2 components. The effects of water, temperature and of the amounts of the reaction components on the thermodynamic equilibrium have been discussed and the experimental results compared with the calculated thermodynamic data.     

An efficient approach of aerosol thermodynamic equilibrium predictions by the HDMR method

In this paper, we develop a new and efficient approach for high dimensional atmospheric aerosol thermodynamic equilibrium predictions. The multi-phase and multi-component aerosol thermodynamic input–output systems are solved by the high dimensional model representation (HDMR) method combining with the moving multiple cut points. The developed approach improves the accuracy of numerical simulations for the general high dimensional input–output systems compared with the standard cut-HDMR method. It can simulate efficiently the atmospheric aerosol thermodynamic equilibrium problems in a large range of aerosol concentrations from 10^?10 to 10^?6 mol m^?3. Numerical experiments show that the approach has great computational efficiency and the CPU-time of the approach is much less than that of ISORROPIA. The method does excellent performance in predicting high dimensional aerosol thermodynamic components as well as particulate matters (PMs).     

Development of a sample equilibration system for the TEOM continuous PM monitor

In recent years, scientific discussion has included the influence of thermodynamic conditions (e.g., temperature, relative humidity, and filter face velocity) on PM retention efficiency of filter-based samplers and monitors. Method-associated thermodynamic conditions can, in some instances, dramatically influence the presence of particle-bound water and other light-molecular-weight chemical components such as particulate nitrates and certain organic compounds. The measurement of fine particle mass presents a new challenge for all PM measurement methods, since a relatively greater fraction of the mass is semi-volatile. The tapered element oscillating microbalance (TEOM) continuous PM monitor is a U.S. Environmental Protection Agency (EPA) PM10 equivalent method (EQPM-1090079). Several hundred of these monitors are deployed throughout the United States. The TEOM monitor has the unique characteristic of providing direct PM mass measurement without the calibration uncertainty inherent in mass surrogate methods. In addition, it provides high-precision, near-real-time continuous data automatically. Much attention has been given to semi-volatile species retention of the TEOM method.     

Database uncertainty as a limiting factor in reactive transport prognosis

The effect of uncertainties in thermodynamic databases on prediction performances of reactive transport modeling of uranium (VI) is investigated with a Monte Carlo approach using the transport code TReaC. TReaC couples the transport model to the speciation code PHREEQC by a particle tracking method. A speciation example is given to illustrate the effect of uncertainty in thermodynamic data on the predicted solution composition. The transport calculations consequently show the prediction uncertainty resulting from uncertainty in thermodynamic data. A conceptually simple scenario of elution of uranium from a sand column is used as an illustrating example. Two different cases are investigated: a carbonate-enriched drinking water and an acid mine water associated with uranium mine remediation problems. Due to the uncertainty in the relative amount of positively charged and neutral solution species, the uncertainty in the thermodynamic data also infers uncertainty in the retardation behavior. The carbonated water system shows the largest uncertainties in speciation calculation. Therefore, the model predictions of total uranium solubility have a broad range. The effect of data uncertainty in transport prediction is further illustrated by a prediction of the time when eluted uranium from the column exceeds a threshold value. All of these Monte Carlo transport calculations consume large amounts of computing time.     

REST-Rossendorf expert system for surface and sorption thermodynamics

This paper presents a digitized version of a thermodynamic sorption database, implemented as a relational database with MS Access. It is mineral-specific and can therefore be used for additive models of complex solid phases such as rocks or soils. An integrated user interface helps users to access selected mineral and sorption data, to extract internally consistent data sets for sorption modeling, and to export them in formats suitable for other modeling software. Data records comprise mineral properties, specific surface area values, surface binding sites' characteristics, sorption ligand information, and surface complexation reactions. An extensive bibliography is included, providing links not only to the above listed data, but also to background information concerning surface complexation model theories, evidence for surface species, and sorption experimental techniques.     

RES3T-Rossendorf expert system for surface and sorption thermodynamics

This paper presents a digitized version of a thermodynamic sorption database, implemented as a relational database with MS Access. It is mineral-specific and can therefore be used for additive models of complex solid phases such as rocks or soils. An integrated user interface helps users to access selected mineral and sorption data, to extract internally consistent data sets for sorption modeling, and to export them in formats suitable for other modeling software. Data records comprise mineral properties, specific surface area values, surface binding sites' characteristics, sorption ligand information, and surface complexation reactions. An extensive bibliography is included, providing links not only to the above listed data, but also to background information concerning surface complexation model theories, evidence for surface species, and sorption experimental techniques.     

Influence of the presence of ruthenium on the activity and stability of Co–Mg–Al-based catalysts in CO2 reforming of methane for syngas production

Environmental Science and Pollution Research - Hydrogen production by methane dry reforming is an important yet challenging process. A performing catalyst will favor the thermodynamic equilibrium...     

Development of a Sample Equilibration System for the TEOM Continuous PM Monitor

ABSTRACT

In recent years, scientific discussion has included the influence of thermodynamic conditions (e.g., temperature, relative humidity, and filter face velocity) on PM retention efficiency of filter-based samplers and monitors. Method-associated thermodynamic conditions can, in some instances, dramatically influence the presence of particle-bound water and other light-molecular-weight chemical components such as particulate nitrates and certain organic compounds. The measurement of fine particle mass presents a new challenge for all PM measurement methods, since a relatively greater fraction of the mass is semi-volatile.

The tapered element oscillating microbalance (TEOM) continuous PM monitor is a U.S. Environmental Protection Agency (EPA) PM₁₀ equivalent method (EQPM-1090-079). Several hundred of these monitors are deployed throughout the United States. The TEOM monitor has the unique characteristic of providing direct PM mass measurement without the calibration uncertainty inherent in mass surrogate methods. In addition, it provides high-precision, near-real-time continuous data automatically. Much attention has been given to semi-volatile species retention of the TEOM method.

While using this monitor, it is desirable to maintain as low an operating temperature as practical and to remove unwanted particle-bound water. A new sample equilibration system (SES) has been developed to allow conditioning of the PM sample stream to a lower humidity and temperature level. The SES incorporates a special low-particle-loss Nafion dryer. This paper discusses the configuration and theory of the SES. Performance results include high time-resolved PM_2.5 data comparison between a 30 °C sample stream TEOM monitor with SES and a standard 50 °C TEOM monitor. In addition, 24-hr integrated data are compared with data collected using an EPA PM_2.5 Federal Reference Method (FRM)-type sampler. The SES is a significant development because it can be applied easily to existing TEOM monitors.     

Sorption and desorption studies of a reactive azo dye on effective disposal of redundant material

The effective disposal of redundant elephant dung (ED) is important for environmental protection and utilization of resource. The aim of this study was to remove a toxic-azo dye, Reactive Red (RR) 120, using this relatively cheap material as a new adsorbent. The FTIR–ATR spectra of ED powders before and after the sorption of RR 120 and zero point charge (pH_zpc) of ED were determined. The sorption capacity of ED for removing of RR 120 were carried out as functions of particle size, adsorbent dose, pH, temperature, ionic strength, initial dye concentration, and contact time. Sorption isotherm, kinetic, activation energy, thermodynamic, and desorption parameters of RR 120 on ED were studied. The sorption process was found to be dependent on particle size, adsorbent dose, pH, temperature, ionic strength, initial dye concentration, and contact time. FTIR–ATR spectroscopy indicated that amine and amide groups have significant role on the sorption of RR 120 on ED. The pH_zpc of ED was found to be 7.3. Sorption kinetic of RR 120 on ED was well described by sigmoidal Logistic model. The Langmuir isotherm was well fitted to the equilibrium data. The maximum sorption capacity was 95.71 mg?g^?1. The sorption of RR 120 on ED was mainly physical and exothermic according to results of D–R isotherm, Arrhenius equation, thermodynamic, and desorption studies. The thermodynamic parameters showed that this process was feasible and spontaneous. This study showed that ED as a low-cost adsorbent had a great potential for the removal of RR 120 as an alternative eco-friendly process.     

Development of an activated carbon impregnation process with iron oxide nanoparticles by green synthesis for diclofenac adsorption

The objective of this study was to impregnate the surface of palm coconut activated carbon with nanoparticles of iron compounds using Moringa oleifera leaf extracts and pomegranate leaf by a green synthesis method and to evaluate its adsorption capacity for sodium diclofenac. The adsorbent material was characterized by zeta potential, X-ray diffraction (XRD), N₂ adsorption/desorption (BET method), transmission electronic microscopy (TEM), and scanning electronic microscopy (SEM) coupled to dispersive energy spectrometry X-ray (EDX) methods. To evaluate the adsorption capacity of sodium diclofenac, the influence of pH, kinetics, isotherms, and thermodynamic properties were analysed. The impregnated adsorbents showed efficiency in the adsorption of sodium diclofenac. The kinetic model that best fit the experimental data was the pseudo-second-order model, and the equilibrium model was the Langmuir model. As for the thermodynamic study, it was verified that the adsorption reaction for all adsorbents occurs in a spontaneous, favourable way, and it is endothermic by physisorption. Therefore, this process is promising because it is a clean and non-toxic method when compared with chemical methods for the synthesis of nanoparticles.

     

Performance analysis of a solar-powered organic rankine cycle engine

This paper presents the performance analysis of a power plant with the Organic Rankine Cycle (ORC). The power plant is supplied by thermal energy utilized from a solar energy collector. R245fa was the working fluid in the thermodynamic cycle. The organic cycle with heat regeneration was built and tested experimentally. The ORC with a heat regenerator obtained the maximum thermodynamic efficiency of approximately 9%.     

镇江斜发沸石对氨氮的吸附动力学及热力学研究

采用静态平衡法,开展了镇江斜发沸石对水中氨氮的吸附动力学和热力学研究.结果表明,吸附量随反应温度升高而增加,斜发沸石对氨氮吸附符合Freundlich等温线方程,对氨氮吸附实验数据与准二级动力学模型拟合更好(R2＞0.998),热力学参数吸附焓变△H=18.26 kJ/mol,熵变△S=0.0632 kJ/kmol,对...     

Reactions of compost-derived humic substances with lead, copper, cadmium, and zinc

Thermodynamic stability constants of the formation of complexes from the reactions of humic substances with various metals are usually used as parameters to judge the reactivities of both humic substances and metals. However, in calculating the thermodynamic stability constants, complicated processes for the acquisition of activities of components in reactions are absolutely inevitable. In this study, we investigated the average conditional concentration quotients of the complexes formed from the reaction of metals with humic substances and the relations of these quotients to thermodynamic stability constants. The characterized humic substances including HA (MW>1,000), FA (MW>1,000), and FA (MW<1,000) extracted from a swine compost were prepared to react with Pb, Cu, Cd, and Zn at 25 degrees C and at pH 4.00 and 6.50. Reactions of HA (MW>1,000), FA (MW>1,000), and FA (MW<1,000) with the four metals were carried out at 1:0.1, 1:0.5, 1:1, 1:5, and 1:10 ligand:metal stoichiometry. The concentrations of the free ions of Pb, Cu, Cd, and Zn in the reaction systems of metal-HA suspensions and metal-FA solutions were measured by anodic stripping voltammetry (ASV). The sequence of the average conditional concentration quotients of the formed complexes from the reaction of humic substances with metals was FA(MW<1,000)>FA(MW>1,000)>HA(MW>1,000), showing the relative reactivities of the fractions of swine compost-derived humic substances. The sequence of reacting metals with humic substances was Pb>Cu>Cd>Zn, which is in good agreement with the sequence reported by judging the thermodynamic stability constants. The average conditional concentration quotients of the formed complexes from the reaction of humic substances with metals were thus useful parameters that can be directly related to thermodynamic stability constants and other parameters.     

Modeling the emissions of a dual fuel engine coupled with a biomass gasifier—supplementing the Wiebe function

There is a growing market demand for small-scale biomass gasifiers that is driven by the economic incentives and the legislative framework. Small-scale gasifiers produce a gaseous fuel, commonly referred to as producer gas, with relatively low heating value. Thus, the most common energy conversion systems that are coupled with small-scale gasifiers are internal combustion engines. In order to increase the electrical efficiency, the operators choose dual fuel engines and mix the producer gas with diesel. The Wiebe function has been a valuable tool for assessing the efficiency of dual fuel internal combustion engines. This study introduces a thermodynamic model that works in parallel with the Wiebe function and calculates the emissions of the engines. This “vis-à-vis” approach takes into consideration the actual conditions inside the cylinders—as they are returned by the Wiebe function—and calculates the final thermodynamic equilibrium of the flue gases mixture. This approach aims to enhance the operation of the dual fuel internal combustion engines by identifying the optimal operating conditions and—at the same time—advance pollution control and minimize the environmental impact.     

Continued development of a general equilibrium model for inorganic multicomponent atmospheric aerosols

A model is presented that predicts the total quantities of ammonium, chloride, nitrate and water contained in atmospheric aerosols, their physical state and their distribution among aerosol particles of different sizes. The model is based on the thermodynamic equilibrium calculation of the ammonium/chloride/nitrate/sodium/sulfate/water system. The existence of water in the aerosol phase at low relative humidities is shown to be explained. Observed aerosol concentrations at Long Beach, California during 30–31 August 1982 are successfully predicted.     

Are fuel additives a viable contrail mitigation option?

Fuel additives have been proposed as a potential mitigation option for contrails. They could change the thermodynamic conditions necessary for contrail formation in a way that makes contrail formation more difficult than with standard kerosene fuel. Here I show how additives could affect contrail formation, and I conclude that fuel additives are not a useful way to avoid contrails.     

Chlorine speciation in seawater; a metastable equilibrium model for ClI and BrI species

A thermodynamic model for the inorganic, fast-reacting fraction of the total residual oxidant produced by chlorination in marine waters reveals that Br^I species are more stable than Cl^I species. At typical amino-N levels, HOBr, NBr₃, and NHBr₂ predominate. Data on organic byproducts of chlorination generally support the model calculations.