Structure and equation of state of interaction site models for disc-shaped lamellar colloids

We apply RISM (Reference Interaction Site Model) and PRISM (polymer-RISM) theories to calculate the site-site pair structure and the osmotic equation of state of suspensions of circular or hexagonal platelets (lamellar colloids) over a range of ratios of the particle diameter over thickness. Despite the neglect of edge effects, the simpler PRISM theory yields results in good agreement with the more elaborate RISM calculations, provided the correct form factor, characterizing the intramolecular structure of the platelets, is used. The RISM equation of state is sensitive to the number of sites used to model the platelets, but saturates when the hard spheres, associated with the interaction sites, nearly touch; the limiting equation of state agrees reasonably well with available simulation data for all densities up to the isotropic-nematic transition. When properly scaled with the second virial coefficient, the equations of state of platelets with different aspect ratios nearly collapse on a single master curve.Comment: 10 Pages, 11 Figures, Typesetted using RevTeX

A photoelectron imaging and quantum chemistry study of the deprotonated indole anion

Indole is an important molecular motif in many biological molecules and exists in its deprotonated anionic form in the cyan fluorescent protein, an analogue of green fluorescent protein. However, the electronic structure of the deprotonated indole anion has been relatively unexplored. Here, we use a combination of anion photoelectron velocity-map imaging measurements and quantum chemistry calculations to probe the electronic structure of the deprotonated indole anion. We report vertical detachment energies (VDEs) of 2.45 ± 0.05 eV and 3.20 ± 0.05 eV, respectively. The value for D₀ is in agreement with recent high-resolution measurements whereas the value for D₁ is a new measurement. We find that the first electronically excited singlet state of the anion, S₁(ππ*), lies above the VDE and has shape resonance character with respect to the D₀ detachment continuum and Feshbach resonance character with respect to the D₁ continuum

Controlling electron emission from the photoactive yellow protein chromophore by substitution at the coumaric acid group

Understanding how the interactions between a chromophore and its surrounding protein control the function of a photoactive protein remains a challenge. Here, we present the results of photoelectron spectroscopy measurements and quantum chemistry calculations aimed at investigating how substitution at the coumaryl tail of the photoactive yellow protein chromophore controls competing relaxation pathways following photoexcitation of isolated chromophores in the gas phase with ultraviolet light in the range 350-315 nm. The photoelectron spectra are dominated by electrons resulting from direct detachment and fast detachment from the 2(1)ππ* state but also have a low electron kinetic energy component arising from autodetachment from lower lying electronically excited states or thermionic emission from the electronic ground state. We find that substituting the hydrogen atom of the carboxylic acid group with a methyl group lowers the threshold for electron detachment but has very little effect on the competition between the different relaxation pathways, whereas substituting with a thioester group raises the threshold for electron detachment and appears to 'turn off' the competing electron emission processes from lower lying electronically excited states. This has potential implications in terms of tuning the light-induced electron donor properties of photoactive yellow protein

A laboratory study using maple leaves as a biosorbent for lead removal from aqueous solutions

This study tested the ability of maple leaf powder (MLP) to reduce the level of Pb(II) ions in aqueous solutions. As a biosorbent, MLP has a larger specific surface area (10.94 m2/g) and contains Pb(II) binding functional groups. The highest Pb(II) removals were achieved at pH of 6.2, particle size of less than 75 μm, dose of 0.5 g, initial concentration of 10 mg/l and equilibrium time of >15 minutes. Thermodynamic results indicated that the Pb(II) adsorption process was spontaneous and exothermic. MLP biosorbent could be reused for five cycles after successfully recovery by 0.1N H2SO4. Both adsorption and desorption data fit well with Langmuir and Sips isotherm models (R2 ≈ 0.961-1.00). The Pb(II) adsorption and desorption capacities (qm) of MLP were up to 50.27 mg/g and 40.06 mg/g, respectively, for a 1 g dose at room temperature. Kinetics processes were rate controlling step and showed good fitness with the pseudo-second order and intraparticle diffusion models. Results suggest that multiple mechanisms (chelating bond, physisorption and chemisorption) are involved to adsorb the Pb(II) ions on to MLP. Higher Pb(II) removal revealed the practical applicability of MLP in water and wastewater treatment systems. © IWA Publishing 2014

Micropollutants removal and health risk reduction in a water reclamation and ecological reuse system

© 2018 Elsevier Ltd As reclaimed water use is increasing, its safety attracts growing attention, particularly with respect to the health risks associated with the wide range of micropollutants found in the reclaimed water. In this study, sophisticated analysis was conducted for water samples from a water reclamation and ecological reuse system where domestic wastewater was treated using an anaerobic-anoxic-oxic unit followed by a membrane bioreactor (A2O-MBR), and the reclaimed water was used for replenishing a landscape lake. A total of 58 organic micropollutants were detected in the system, consisting of 13 polycyclic aromatic hydrocarbons (PAHs), 16 phenols, 3 pesticides, and 26 pharmaceuticals and personal care products (PPCPs). After treatment by the A2O-MBR process, effective removal of pesticides and phenols was achieved, while when the reclaimed water entered the landscape lake, PPCPs were further removed. From the physicochemical properties of micropollutants, it could be inferred that phenols and dichlorphos (the only pesticide with considerable concentration in the influent) would have been mainly removed by biodegradation and/or volatilization in the biological treatment process. Additionally, it is probable that sludge adsorption also contributed to the removal of dichlorphos. For the predominant PPCP removal in the landscape lake, various actions, such as adsorption, biodegradation, photolysis, and ecologically mediated processes (via aquatic plants and animals), would have played significant roles. However, according to their logKoc, logKow and logD (pH = 8) values, it could be concluded that adsorption by suspended solids might be an important action. Although carcinogenic and non-carcinogenic risks associated with all the detected micropollutants were at negligible levels, the hazard quotients (HQs) of PPCPs accounted for 92.03%–97.23% of the HQTotal. With the significant removal of PPCPs through the ecological processes in the landscape lake, the safety of reclaimed water use could be improved. Therefore, the introduction of ecological unit into the water reclamation and reuse system could be an effective measure for health risk reduction posed by micropollutants

Psychological and demographic factors affecting household energy-saving intentions: A TPB-based study in northwest China

Changing energy consumption behavior is a promising strategy to enhance household energy efficiency and to reduce carbon emission. Understanding the role of psychological and demographic factors in the context of energy-conservation behaviors is critical to promote energy-saving behaviors in buildings. This study first proposes a theoretical framework built on the Theory of Planned Behavior (TPB). Based on the collected survey data from 207 families (553 residents) in three communities in Xi’an, a typical city in northwest China, the research examines how three standard TPB predictors, namely attitude, subjective norm, and perceived behavioral control, as well as their interactive effects and three socio-demographic factors (i.e., house ownership, education and household income) influence building occupants’ energy-saving intention at home. Through structural equation modeling and keyword analysis, this study reveals that two interaction terms, namely attitude and subjective norms, as well as attitude and perceived behavior control, significantly influence building occupants’ energy-saving intention. Furthermore, this study implies that household income may positively associate with occupants’ energy-saving intention. The model in this study would be conducive to architects and property managers to mitigate severe building energy overuse problem in design and operation stages. Based on a qualitative analysis, the study then discusses the limitations of the study and further research direction. The results of this study would be conducive to building designers and operators to develop customized architectural or informatic interventions and to mitigate the severe energy overuse problem in the residential sector in northwest China.</jats:p

Exploring the "energy-saving personality traits" in the office and household situation: An empirical study

Behavior-driven energy conservation has been a promising strategy for reducing building energy consumption as well as carbon emissions. With the intention of revealing the impacts of an individual’s personality basis on energy conservation behavioral attitudes and intentions in households and offices, the present study proposes and conducts an experiment in Xi’an, China with two groups for the investigation of such attitudes towards household energy-saving behavior (HESB) and office energy-saving behavior (OESB), respectively. The research adopts structural equation modeling for experiment data analysis. The analysis results suggest that the two personality traits, Agreeableness and Neuroticism, are significantly related to both HESB and OESB attitudes. Especially, agreeable people tend to present stronger energy-saving attitudes, while individuals with higher Neuroticism are less likely to do so. The results indicate that the impacts of these two traits on energy-saving attitude are found to be less influenced by different environment settings. Further, the results find that Extraversion positively influences energy-saving attitude in the office environment, while Openness only significantly works in the household environment. It is hoped that the findings of the present study can provide informative references to energy-saving intervention design as well as further studies on the spillover of pro-environmental behaviors.</jats:p

Competitive adsorption of metals on cabbage waste from multi-metal solutions

This study assessed the adsorption capacity of the agro-waste 'cabbage' as a biosorbent in single, binary, ternary and quaternary sorption systems with Cu(II), Pb(II), Zn(II) and Cd(II) ions. Dried and ground powder of cabbage waste (CW) was used for the sorption of metals ions. Carboxylic, hydroxyl, and amine groups in cabbage waste were found to be the key functional groups for metal sorption. The adsorption isotherms obtained could be well fitted to both the mono- and multi-metal models. In the competitive adsorption systems, cabbage waste adsorbed larger amount of Pb(II) than the other three metals. However, the presence of the competing ions suppressed the sorption of the target metal ions. Except the case of binary system of Cd(II)-Zn(II) and Cd(II)-Cu(II), there was a linear inverse dependency between the sorption capacities and number of different types of competitive metal ions. © 2013 Elsevier Ltd

Life cycle assessment of sewage sludge treatment and disposal based on nutrient and energy recovery: A review.

With the acceleration of urbanization, the production of urban sludge is increasing rapidly. To minimize resource input and waste output, it is crucial to execute analyses of environmental impact and assessments of sustainability on different technical strategies involving sludge disposal based on Life Cycle Assessment (LCA), which is a great potential mean of environmental management adopted internationally in the 21st century. This review aims to compare the environmental sustainability of existing sludge management schemes with a purpose of nutrient recovery and energy saving, respectively, and also to include the substitution benefits of alternative sludge products. Simultaneously, LCA research regarding the emerging sludge management technologies and sludge recycling (cement, adsorbent, bricks) is analyzed. Additionally, the key aspects of the LCA process are worth noting in the context of the current limitations reviewed here. It is worth emphasizing that no technical remediation method can reduce all environmental damage simultaneously, and these schemes are typically more applicable to the assumed local conditions. Future LCA research should pay more attention to the toxic effects of different sludge treatment methods, evaluate the technical ways of adding pretreatment technology to the 'front end' of the sludge treatment process, and further explore how to markedly reduce environmental damage in order to maximize energy and nutrient recovery from the LCA perspective