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You searched for: Journal name Environmental Science & Technology Remove constraint Journal name: Environmental Science & Technology Subject term equations Remove constraint Subject term: equations
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1. Decabrominated Diphenyl Ethers (BDE-209) in Chinese and Global Air: Levels, Gas/Particle Partitioning, and Long-Range Transport: Is Long-Range Transport of BDE-209 Really Governed by the Movement of Particles?

Author:
Li Yi-Fan; Qiao Li-Na; Ren Nan-Qi; Sverko Ed; Mackay Donald; Macdonald Robie W.
Source:
Environmental Science & Technology 2017 v.51 no.2 pp. 1035-1042
ISSN:
1520-5851
Subject:
air; ambient temperature; detection limit; equations; monitoring; partition coefficients; polybrominated diphenyl ethers; volatile organic compounds; Arctic region; China
Abstract:
... In this paper, we report air concentrations of BDE-209 in both gas- and particle-phases across China. The annual mean concentrations of BDE-209 were from below detection limit (BDL) to 77.0 pg·m–³ in the gas-phase and 1.06–728 pg·m–³ in the particle-phase. Among the nine PBDEs measured, BDE-209 is the dominant congener in Chinese atmosphere in both gas and particle phases. We predicted the partiti ...
DOI:
10.1021/acs.est.6b05395

2. Experimental Determination of Isotope Enrichment Factors – Bias from Mass Removal by Repetitive Sampling

Author:
Buchner Daniel; Jin Biao; Ebert Karin; Rolle Massimo; Elsner Martin; Haderlein Stefan B.
Source:
Environmental Science & Technology 2017 v.51 no.3 pp. 1527-1536
ISSN:
1520-5851
Subject:
closed loop systems; equations; experimental design; headspace analysis; isotope fractionation; stable isotopes; volatile compounds; volatilization
Abstract:
... Application of compound-specific stable isotope approaches often involves comparisons of isotope enrichment factors (ε). Experimental determination of ε-values is based on the Rayleigh equation, which relates the change in measured isotope ratios to the decreasing substrate fractions and is valid for closed systems. Even in well-controlled batch experiments, however, this requirement is not necess ...
DOI:
10.1021/acs.est.6b03689

3. Free Diffusivity of Icosahedral and Tailed Bacteriophages: Experiments, Modeling, and Implications for Virus Behavior in Media Filtration and Flocculation

Author:
Baltus Ruth E.; Badireddy Appala Raju; Delavari Armin; Chellam Shankararaman
Source:
Environmental Science & Technology 2017 v.51 no.3 pp. 1433-1440
ISSN:
1520-5851
Subject:
bacteriophages; diffusivity; equations; filtration; flocculation; light scattering; models; prediction
Abstract:
... The aqueous bulk diffusivities of several near-spherical (icosahedral) and nonspherical (tailed) bacterial viruses were experimentally determined by measuring their flux across large pore membranes and using dynamic light scattering, with excellent agreement between values measured using the two techniques. For the icosahedral viruses, good agreement was also found between measured diffusivity val ...
DOI:
10.1021/acs.est.6b05323

4. Henry’s Constants of Persistent Organic Pollutants by a Group-Contribution Method Based on Scaled-Particle Theory

Author:
Razdan Neil K.; Koshy David M.; Prausnitz John M.
Source:
Environmental Science & Technology 2017 v.51 no.21 pp. 12466-12472
ISSN:
1520-5851
Subject:
chlorinated naphthalenes; energy; equations; hydrogen; models; persistent organic pollutants; polybrominated diphenyl ethers; polychlorinated biphenyls; polychlorinated dibenzodioxins; polychlorinated dibenzofurans; temperature
Abstract:
... A group-contribution method based on scaled-particle theory was developed to predict Henry’s constants for six families of persistent organic pollutants: polychlorinated benzenes, polychlorinated biphenyls, polychlorinated dibenzodioxins, polychlorinated dibenzofurans, polychlorinated naphthalenes, and polybrominated diphenyl ethers. The group-contribution model uses limited experimental data to o ...
DOI:
10.1021/acs.est.7b03023

5. Identification of Biokinetic Models Using the Concept of Extents

Author:
Mašić Alma; Srinivasan Sriniketh; Billeter Julien; Bonvin Dominique; Villez Kris
Source:
Environmental Science & Technology 2017 v.51 no.13 pp. 7520-7531
ISSN:
1520-5851
Subject:
biotechnology; equations; mathematical models; wastewater treatment
Abstract:
... The development of a wide array of process technologies to enable the shift from conventional biological wastewater treatment processes to resource recovery systems is matched by an increasing demand for predictive capabilities. Mathematical models are excellent tools to meet this demand. However, obtaining reliable and fit-for-purpose models remains a cumbersome task due to the inherent complexit ...
DOI:
10.1021/acs.est.7b00250

6. Kinetics and Mechanism of Ultrasonic Activation of Persulfate: An in Situ EPR Spin Trapping Study

Author:
Wei Zongsu; Villamena Frederick A.; Weavers Linda K.
Source:
Environmental Science & Technology 2017 v.51 no.6 pp. 3410-3417
ISSN:
1520-5851
Subject:
alcohols; ambient temperature; aqueous solutions; bubbles; dissociation; electron paramagnetic resonance spectroscopy; equations; heat; hydrolysis; hydroxyl radicals; kinetics; oxidation; sulfates; ultrasonics; United States
Abstract:
... Ultrasound (US) was shown to activate persulfate (PS) providing an alternative activation method to base or heat as an in situ chemical oxidation (ISCO) method. The kinetics and mechanism of ultrasonic activation of PS were examined in aqueous solution using an in situ electron paramagnetic resonance (EPR) spin trapping technique and radical trapping with probe compounds. Using the spin trap, 5,5- ...
DOI:
10.1021/acs.est.6b05392

7. Modeling Bisolute Adsorption of Aromatic Compounds Based on Adsorbed Solution Theories

Author:
Zhang Huichun; Wang Shubo
Source:
Environmental Science & Technology 2017 v.51 no.10 pp. 5552-5562
ISSN:
1520-5851
Subject:
Gibbs free energy; adsorption; aromatic compounds; equations; models; municipal wastewater; polystyrenes; prediction; solutes; sorption isotherms
Abstract:
... A large number of organic contaminants are commonly found in industrial and municipal wastewaters. For proper unit design to remove contaminant mixtures by adsorption, multicomponent adsorption equilibrium models are necessary. The present work examined the applicability of Ideal Adsorbed Solution Theory (IAST), a prevailing thermodynamic model, and its derivatives, i.e., Segregated IAST (SIAST) a ...
DOI:
10.1021/acs.est.6b05576

8. Oxidation Removal of Nitric Oxide from Flue Gas Using UV Photolysis of Aqueous Hypochlorite

Author:
Liu Yangxian; Wang Yan; Liu Ziyang; Wang Qian
Source:
Environmental Science & Technology 2017 v.51 no.20 pp. 11950-11959
ISSN:
1520-5851
Subject:
absorption; calcium; carbon dioxide; environmental science; equations; flue gas; hydroxyl radicals; light intensity; mathematical models; nitric oxide; oxidation; oxygen; pH; photolysis; sodium hypochlorite; spraying; sulfur dioxide; temperature
Abstract:
... The oxidation removal of nitric oxide (NO) from flue gas using UV photolysis of aqueous hypochlorite (Ca(ClO)₂ and NaClO) in a photochemical spraying reactor was studied. The key parameters (e.g., light intensity, hypochlorite concentration, solution temperature, solution pH, and concentration of NO, SO₂, O₂, and CO₂), mechanism and kinetics of NO oxidation removal were investigated. The results d ...
DOI:
10.1021/acs.est.7b03628

9. Prediction of Adsorption Equilibrium of VOCs onto Hyper-Cross-Linked Polymeric Resin at Environmentally Relevant Temperatures and Concentrations Using Inverse Gas Chromatography

Author:
Jia Lijuan; Ma Jiakai; Shi Qiuyi; Long Chao
Source:
Environmental Science & Technology 2017 v.51 no.1 pp. 522-530
ISSN:
1520-5851
Subject:
acetone; adsorbents; adsorption; benzene; equations; gas chromatography; hexane; methylene chloride; nitrogen; porous media; prediction; temperature; volatile organic compounds
Abstract:
... Hyper-cross-linked polymeric resin (HPR) represents a class of predominantly microporous adsorbents and has good adsorption performance toward VOCs. However, adsorption equilibrium of VOCs onto HPR are limited. In this research, a novel method for predicting adsorption capacities of VOCs on HPR at environmentally relevant temperatures and concentrations using inverse gas chromatography data was pr ...
DOI:
10.1021/acs.est.6b05039

10. Quantum Chemically Estimated Abraham Solute Parameters Using Multiple Solvent–Water Partition Coefficients and Molecular Polarizability

Author:
Liang Yuzhen; Xiong Ruichang; Sandler Stanley I.; Di Toro Dominic M.
Source:
Environmental Science & Technology 2017 v.51 no.17 pp. 9887-9898
ISSN:
1520-5851
Subject:
Gibbs free energy; chemical structure; energy; environmental science; equations; methodology; models; partition coefficients; prediction; regression analysis; solutes
Abstract:
... Polyparameter Linear Free Energy Relationships (pp-LFERs), also called Linear Solvation Energy Relationships (LSERs), are used to predict many environmentally significant properties of chemicals. A method is presented for computing the necessary chemical parameters, the Abraham parameters (AP), used by many pp-LFERs. It employs quantum chemical calculations and uses only the chemical’s molecular s ...
DOI:
10.1021/acs.est.7b01737

11. Use of Multiple Linear Regression Models for Setting Water Quality Criteria for Copper: A Complementary Approach to the Biotic Ligand Model

Author:
Brix Kevin V.; DeForest David K.; Tear Lucinda; Grosell Martin; Adams William J.
Source:
Environmental Science & Technology 2017 v.51 no.9 pp. 5182-5192
ISSN:
1520-5851
Subject:
United States Environmental Protection Agency; bioavailability; carbon; copper; covariance; environmental assessment; equations; freshwater; guidelines; hardness; hydrochemistry; ligands; linear models; pH; regression analysis; risk assessment; toxicity; water quality; water quality criteria; water quality standards; Europe
Abstract:
... Biotic Ligand Models (BLMs) for metals are widely applied in ecological risk assessments and in the development of regulatory water quality guidelines in Europe, and in 2007 the United States Environmental Protection Agency (USEPA) recommended BLM-based water quality criteria (WQC) for Cu in freshwater. However, to-date, few states have adopted BLM-based Cu criteria into their water quality standa ...
DOI:
10.1021/acs.est.6b05533

12. Anionic, Cationic, and Nonionic Surfactants in Atmospheric Aerosols from the Baltic Coast at Askö, Sweden: Implications for Cloud Droplet Activation

Author:
Gérard Violaine; Nozière Barbara; Baduel Christine; Fine Ludovic; Frossard Amanda A.; Cohen Ronald C.
Source:
Environmental Science & Technology 2016 v.50 no.6 pp. 2974-2982
ISSN:
1520-5851
Subject:
aerosols; chlorophyll; coasts; colorimetry; equations; micelles; nonionic surfactants; particulates; seawater; surface tension; titration; Sweden
Abstract:
... Recent analyses of atmospheric aerosols from different regions have demonstrated the ubiquitous presence of strong surfactants and evidenced surface tension values, σ, below 40 mN m–¹, suspected to enhance the cloud-forming potential of these aerosols. In this work, this approach was further improved and combined with absolute concentration measurements of aerosol surfactants by colorimetric titra ...
DOI:
10.1021/acs.est.5b05809

13. Chemical Reactivity Probes for Assessing Abiotic Natural Attenuation by Reducing Iron Minerals

Author:
Fan Dimin; Bradley Miranda J.; Hinkle Adrian W.; Johnson Richard L.; Tratnyek Paul G.
Source:
Environmental Science & Technology 2016 v.50 no.4 pp. 1868-1876
ISSN:
1520-5851
Subject:
aquifers; carbon tetrachloride; electrodes; electron transfer; equations; groundwater contamination; iron; minerals; models; solvents; thermodynamics
Abstract:
... Increasing recognition that abiotic natural attenuation (NA) of chlorinated solvents can be important has created demand for improved methods to characterize the redox properties of the aquifer materials that are responsible for abiotic NA. This study explores one promising approach: using chemical reactivity probes (CRPs) to characterize the thermodynamic and kinetic aspects of contaminant reduct ...
DOI:
10.1021/acs.est.5b05800

14. Dispersion of Short- and Medium-Chain Chlorinated Paraffins (CPs) from a CP Production Plant to the Surrounding Surface Soils and Coniferous Leaves

Author:
Xu Jiazhi; Gao Yuan; Zhang Haijun; Zhan Faqiang; Chen Jiping
Source:
Environmental Science & Technology 2016 v.50 no.23 pp. 12759-12766
ISSN:
1520-5851
Subject:
air pollution; alkanes; equations; fractionation; leaves; models; soil
Abstract:
... Chlorinated paraffin (CP) production is one important emission source for short- and medium-chain CPs (SCCPs and MCCPs) in the environment. In this study, 48 CP congener groups were measured in the surface soils and coniferous leaves collected from the inner and surrounding environment of a CP production plant that has been in operation for more than 30 years to investigate the dispersion and depo ...
DOI:
10.1021/acs.est.6b03595

15. Electromagnetic Induction of Zerovalent Iron (ZVI) Powder and Nanoscale Zerovalent Iron (NZVI) Particles Enhances Dechlorination of Trichloroethylene in Contaminated Groundwater and Soil: Proof of Concept

Author:
Phenrat Tanapon; Thongboot Thippawan; Lowry Gregory V.
Source:
Environmental Science & Technology 2016 v.50 no.2 pp. 872-880
ISSN:
1520-5851
Subject:
corrosion; dechlorination; desorption; electromagnetic field; equations; groundwater; groundwater contamination; heat; iron; remediation; soil; temperature; trichloroethylene
Abstract:
... This study evaluates the concept of using zerovalent iron (ZVI) powder or nanoscale zerovalent iron (NZVI) particles in combination with a low frequency (150 kHz) AC electromagnetic field (AC EMF) to effectively remove trichloroethylene (TCE) from groundwater and saturated soils. ZVI and NZVI are ferromagnetic, which can induce heat under applied AC EMF. The heat generated by ZVI and NZVI inductio ...
DOI:
10.1021/acs.est.5b04485

16. Enhanced Retention of Chemotactic Bacteria in a Pore Network with Residual NAPL Contamination

Author:
Wang Xiaopu; Lanning Larry M.; Ford Roseanne M.
Source:
Environmental Science & Technology 2016 v.50 no.1 pp. 165-172
ISSN:
1520-5851
Subject:
Pseudomonas putida; advection; aquifers; bacteria; bioremediation; chemotaxis; droplets; equations; groundwater; groundwater contamination; mixing; mutants; nonaqueous phase liquids; soil; toluene
Abstract:
... Nonaqueous-phase liquid (NAPL) contaminants are difficult to eliminate from natural aquifers due, in part, to the heterogeneous structure of the soil. Chemotaxis enhances the mixing of bacteria with contaminant sources in low-permeability regions, which may not be readily accessible by advection and dispersion alone. A microfluidic device was designed to mimic heterogeneous features of a contamina ...
DOI:
10.1021/acs.est.5b03872

17. Evaluating the Relationship between Equilibrium Passive Sampler Uptake and Aquatic Organism Bioaccumulation

Author:
Joyce Abigail S.; Portis Lisa M.; Parks Ashley N.; Burgess Robert M.
Source:
Environmental Science & Technology 2016 v.50 no.21 pp. 11437-11451
ISSN:
1520-5851
Subject:
Bivalvia; Gastropoda; Oligochaeta; Polychaeta; aquatic insects; bioaccumulation; bioavailability; environmental monitoring; equations; hydrophobicity; polydimethylsiloxane; polyethylene
Abstract:
... This Critcal Review evaluates passive sampler uptake of hydrophobic organic contaminants (HOCs) in water column and interstitial water exposures as a surrogate for organism bioaccumulation. Fifty-seven studies were found where both passive sampler uptake and organism bioaccumulation were measured and 19 of these investigations provided direct comparisons relating passive sampler uptake and organis ...
DOI:
10.1021/acs.est.6b03273

18. Kinetics of Brominated Flame Retardant (BFR) Releases from Granules of Waste Plastics

Author:
Sun Bingbing; Hu Yuanan; Cheng Hefa; Tao Shu
Source:
Environmental Science & Technology 2016 v.50 no.24 pp. 13419-13427
ISSN:
1520-5851
Subject:
activation energy; ambient temperature; computers; diffusivity; electronic wastes; emissions; equations; ethane; flame retardants; granules; half life; human health; plastics; polybrominated diphenyl ethers
Abstract:
... Plastic components of e-waste contain high levels of brominated flame retardants (BFRs), whose releases cause environmental and human health concerns. This study characterized the release kinetics of polybrominated diphenyl ethers (PBDEs) from millimeter-sized granules processed from the plastic exteriors of two scrap computer displays at environmentally relevant temperatures. The release rate of ...
DOI:
10.1021/acs.est.6b04297

19. Modeling the Effect of External Carbon Source Addition under Different Electron Acceptor Conditions in Biological Nutrient Removal Activated Sludge Systems

Author:
Hu Xiang; Wisniewski Kamil; Czerwionka Krzysztof; Zhou Qi; Xie Li; Makinia Jacek
Source:
Environmental Science & Technology 2016 v.50 no.4 pp. 1887-1896
ISSN:
1520-5851
Subject:
acclimation; acetates; biodegradability; carbon; dissolved oxygen; equations; ethanol; heterotrophs; laboratory experimentation; models; nitrates; nitrites; oils; prediction; sludge
Abstract:
... The aim of this study was to expand the International Water Association Activated Sludge Model No. 2d (ASM2d) to predict the aerobic/anoxic behavior of polyphosphate accumulating organisms (PAOs) and “ordinary” heterotrophs in the presence of different external carbon sources and electron acceptors. The following new aspects were considered: (1) a new type of the readily biodegradable substrate, n ...
DOI:
10.1021/acs.est.5b04849

20. Partitioning of Organic Ions to Muscle Protein: Experimental Data, Modeling, and Implications for in Vivo Distribution of Organic Ions

Author:
Henneberger Luise; Goss Kai-Uwe; Endo Satoshi
Source:
Environmental Science & Technology 2016 v.50 no.13 pp. 7029-7036
ISSN:
1520-5851
Subject:
Gibbs free energy; anions; bioaccumulation; bovine serum albumin; cations; data collection; equations; humans; models; muscle protein; muscles; organic compounds; pH; partition coefficients; pharmacokinetics; salt concentration; sorption; sorption isotherms; structural proteins
Abstract:
... The in vivo partitioning behavior of ionogenic organic chemicals (IOCs) is of paramount importance for their toxicokinetics and bioaccumulation. Among other proteins, structural proteins including muscle proteins could be an important sorption phase for IOCs, because of their high quantity in the human and other animals’ body and their polar nature. Binding data for IOCs to structural proteins are ...
DOI:
10.1021/acs.est.6b01417