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You searched for: Journal name Environmental Science & Technology Remove constraint Journal name: Environmental Science & Technology Publication Year 2014 Remove constraint Publication Year: 2014 Subject term equations Remove constraint Subject term: equations Subject term models Remove constraint Subject term: models
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1. Computer-Based First-Principles Kinetic Monte Carlo Simulation of Polyethylene Glycol Degradation in Aqueous Phase UV/H2O2 Advanced Oxidation Process

Author:
Guo Xin; Minakata Daisuke; Crittenden John
Source:
Environmental Science & Technology 2014 v.48 no.18 pp. 10813-10820
ISSN:
1520-5851
Subject:
Monte Carlo method; byproducts; equations; hydrogen peroxide; models; molecular weight; oxidation; polyethylene glycol; prediction
Abstract:
... We have developed a computer-based first-principles kinetic Monte Carlo (CF-KMC) model to predict degradation mechanisms and fates of intermediates and byproducts produced from the degradation of polyethylene glycol (PEG) in the presence of hydrogen peroxide (UV/H₂O₂). The CF-KMC model is composed of a reaction pathway generator, a reaction rate constant estimator, and a KMC solver. The KMC solver ...
DOI:
10.1021/es5029553

2. Quantifying Evapotranspiration from Urban Green Roofs: A Comparison of Chamber Measurements with Commonly Used Predictive Methods

Author:
Marasco Daniel E.; Hunter Betsy N.; Culligan Patricia J.; Gaffin Stuart R.; McGillis Wade R.
Source:
Environmental Science & Technology 2014 v.48 no.17 pp. 10273-10281
ISSN:
1520-5851
Subject:
climate; ecosystem services; energy balance; environmental factors; equations; evapotranspiration; green roofs; heat island; models; seasonal variation; stormwater; summer; winter; New York
Abstract:
... Quantifying green roof evapotranspiration (ET) in urban climates is important for assessing environmental benefits, including stormwater runoff attenuation and urban heat island mitigation. In this study, a dynamic chamber method was developed to quantify ET on two extensive green roofs located in New York City, NY. Hourly chamber measurements taken from July 2009 to December 2009 and April 2012 t ...
DOI:
10.1021/es501699h

3. pH-Dependent Transport of Metal Cations in Porous Media

Author:
Prigiobbe Valentina; Bryant Steven L.
Source:
Environmental Science & Technology 2014 v.48 no.7 pp. 3752-3759
ISSN:
1520-5851
Subject:
acidity; adsorption; barium; calcium; carbon dioxide; carbon sequestration; cations; equations; hydrodynamic dispersion; hydrophilicity; industrial applications; ion exchange chromatography; iron oxides; laboratory experimentation; lithium; magnesium; models; pH; porous media; potassium; prediction; silica; sodium; solutes; strontium
Abstract:
... We study the effect of pH-dependent adsorption and hydrodynamic dispersion on cation transport through a reactive porous medium with a hydrophilic surface. We investigate how competitive adsorption between a proton and a metal (which in some situations of practical interest may also be a radionuclide) can facilitate the migration of a certain fraction of the latter. We performed laboratory experim ...
DOI:
10.1021/es403695r

4. Arsenate–Ferrihydrite Systems from Minutes to Months: A Macroscopic and IR Spectroscopic Study of an Elusive Equilibrium

Author:
Swedlund Peter J.; Holtkamp Hannah; Song Yantao; Daughney Christopher J.
Source:
Environmental Science & Technology 2014 v.48 no.5 pp. 2759-2765
ISSN:
1520-5851
Subject:
arsenic; equations; ferrihydrite; models; pH; sorption; spectral analysis
Abstract:
... Sorption by ferrihydrite is an important control on As(V) concentrations in many oxic aquatic systems. There are significant discrepancies in reported sorption constants (log(KAₛ)), which presents a problem for quantifying and understanding this important system. A review of reported ferrihydrite–As(V) sorption studies indicated a positive correlation between reaction time used in the experiments ...
DOI:
10.1021/es404742c

5. Atmospheric Chemistry of Enols: A Theoretical Study of the Vinyl Alcohol + OH + O2 Reaction Mechanism

Author:
So Sui; Wille Uta; da Silva Gabriel
Source:
Environmental Science & Technology 2014 v.48 no.12 pp. 6694-6701
ISSN:
1520-5851
Subject:
alcohols; atmospheric chemistry; equations; formaldehyde; formic acid; hydroxyl radicals; models; oxidation; oxygen; superoxide anion; troposphere
Abstract:
... Enols are emerging as trace atmospheric components that may play a significant role in the formation of organic acids in the atmosphere. We have investigated the hydroxyl radical (•OH) initiated oxidation chemistry of the simplest enol, vinyl alcohol (ethenol, CH₂═CHOH), using quantum chemical calculations and energy-grained master equation simulations. A lifetime of around 4 h was determined for ...
DOI:
10.1021/es500319q

6. Emission of Phthalates and Phthalate Alternatives from Vinyl Flooring and Crib Mattress Covers: The Influence of Temperature

Author:
Liang Yirui; Xu Ying
Source:
Environmental Science & Technology 2014 v.48 no.24 pp. 14228-14237
ISSN:
1520-5851
Subject:
air; breathing; emissions; equations; floors; models; phthalates; residential housing; sleep; temperature; vapor pressure; volatile compounds
Abstract:
... Emissions of phthalates and phthalate alternatives from vinyl flooring and crib mattress covers were measured in a specially designed chamber. The gas-phase concentrations versus time were measured at four different temperatures, that is, 25, 36, 45, and 55 °C. The key parameter that controls the emissions (y₀, gas-phase concentration in equilibrium with the material phase) was determined, and the ...
DOI:
10.1021/es504801x

7. Heteroaggregation of Titanium Dioxide Nanoparticles with Model Natural Colloids under Environmentally Relevant Conditions

Author:
Praetorius Antonia; Labille Jérôme; Scheringer Martin; Thill Antoine; Hungerbühler Konrad; Bottero Jean-Yves
Source:
Environmental Science & Technology 2014 v.48 no.18 pp. 10690-10698
ISSN:
1520-5851
Subject:
calcium chloride; colloids; environmental fate; equations; humic acids; ionic strength; methodology; models; nanoparticles; pH; risk assessment; silica; sodium chloride; surface water; titanium dioxide
Abstract:
... The heteroaggregation of engineered nanoparticles (ENPs) with natural colloids (NCs), which are ubiquitous in natural surface waters, is a crucial process affecting the environmental transport and fate of ENPs. Attachment efficiencies for heteroaggregation, αₕₑₜₑᵣₒ, are required as input parameters in environmental fate models to predict ENP concentrations and contribute to ENP risk assessment. He ...
DOI:
10.1021/es501655v

8. Single-Component and Binary CO2 and H2O Adsorption of Amine-Functionalized Cellulose

Author:
Gebald Christoph; Wurzbacher Jan A.; Borgschulte Andreas; Zimmermann Tanja; Steinfeld Aldo
Source:
Environmental Science & Technology 2014 v.48 no.4 pp. 2497-2504
ISSN:
1520-5851
Subject:
adsorbents; adsorption; air; carbon dioxide; cellulose; desorption; energy; equations; hygroscopicity; models
Abstract:
... A fundamental analysis of single-component and binary CO₂ and H₂O adsorption of amine-functionalized nanofibrillated cellulose is carried out in the temperature range of 283–353 K and at CO₂ partial pressures in the range of 0.02–105 kPa, where the ultralow partial pressure range is relevant for the direct capture of CO₂ from atmospheric air. Single-component CO₂ and H₂O adsorption experimental da ...
DOI:
10.1021/es404430g