Predicting multicomponent adsorption: 50 years of the ideal adsorbed solution theory

Describing multi‐component adsorption is fundamental to using sorption in any chemical separation. 50 years ago, Myers and Prausnitz made a seminal contribution to characterization and prediction of multi‐component adsorption by introducing Ideal Adsorbed Solution Theory (IAST). Here, we give an overview of IAST, highlighting its continued role as a benchmark method in describing adsorption using illustrative examples from a variety of experimental and molecular modeling studies. © 2015 American Institute of Chemical Engineers AIChE J, 61: 2757–2762, 2015     

Incorporation of postconsumer polyurethane foam into a polymer/clay aerogel matrix

The feasibility of incorporating ground recycled polyurethane (PU) foam into clay/polymer aerogels was demonstrated, and a range of compositions were prepared and characterized to determine the effect of variation in the formulations on density and mechanical properties of the resulting materials. This study followed a modified combinatorial approach. Initially, experiments were performed in water using either sodium exchanged montmorillonite or laponite clay, poly(vinyl alcohol) (PVOH) solution as the polymer binder, and the recycled PU foam. Freezing and freeze‐drying the aqueous gels produced aerogels, which were characterized through density and mechanical testing, scanning electron microscopy, and thermal gravimetric analysis. The study was expanded by exploring alternative binder chemistries, including the use of an alginate polymer in place of the PVOH or adding a polyisocyanate as a crosslinking agent for PVOH. The effect of recycled PU foam content, clay type and level, and binder type and level on the mechanical properties of the aerogels were determined and will be discussed herein. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015 , 132, 42586.     

XRD Analysis of the Role of Cesium in Sodium‐Based Geopolymer

The purpose of this work was to study the role of cesium in sodium‐based geopolymer and its thermal stability for nuclear waste management. A series of mixed sodium and cesium geopolymer samples (Na_1?x Cs _x )₂O·Al₂O₃·SiO₂·12H₂O (referred to as (Na_{1? x} Cs _x )‐GP, where x = 0, 0.08, 0.15, 0.42, 1) have been prepared. All geopolymer samples were heated at 1100°C for 24 h. Pollucite (CsAlSi₂O₆) and feldspathoid (CsAlSiO₄) were crystallized from Cs‐GP. Nepheline (NaAlSiO₄) and a small amount of crystallized silica were obtained from Na‐GP. The other geopolymers (Na_{1? x} Cs _x )‐GP (x = 0.08, 0.15, 0.42) led to pollucite and nepheline main phases. Amorphous silica phase was observed in all the geopolymer samples with various amounts. Phase quantification and scanning electron microscope revealed that higher Cs concentrations in Na‐GP tend to decrease the amorphous phase while improving pollucite and nepheline phase quantification. The amorphous geopolymers have also been studied by pair distribution function analysis. Tetrahedral chains formed by T–O bonding (with T = Si, Al) were shown to be more tighten around Cs⁺ than around Na⁺. It led to shorter Cs–T bond than Na–T bond matching the higher solvation property of Na⁺. Furthermore, thermal study analysis pointed out the fact that geopolymer samples (Na_{1? x} Cs _x )‐GP, can be considered as solid solutions.     

Surfactant Concentration,Antioxidants, and Chelators Influencing Oxidative Stability of Water‐in‐Walnut Oil Emulsions

Effects of surfactant concentration, antioxidants with different polarities, and chelator type on the oxidative stability of water‐in‐stripped walnut oil (W/O) emulsions stabilized by polyglycerol polyricinoleate (PGPR) were evaluated. The formation of primary oxidation products (lipid hydroperoxides) and secondary oxidation products (hexanal) decreased with increasing PGPR concentrations (0.3–1.0 wt% of emulsions). Excess surfactant might solubilize lipid hydroperoxides out of the oil–water interface, resulting in the decreased lipid oxidation rates in W/O emulsions. At concentrations of 10–1000 μM, the polar Trolox demonstrated concentration‐dependent antioxidant activity according to both hydroperoxide and hexanal formation. The antioxidant efficiency of the non‐polar α‐tocopherol was slightly reduced at the higher range of 500–1000 μM based on hydroperoxide formation. Both ethylenediaminetetraacetic acid (EDTA) and deferoxamine (DFO) at concentrations of 5–100 μM reduced the rates of lipid oxidation at varying degrees, indicating that endogenous transition metals may promote lipid oxidation in W/O emulsions. EDTA was a stronger inhibitor of lipid oxidation than DFO. These results suggest that the oxidative stability of W/O emulsions could be improved by the appropriate choice of surfactant concentration, antioxidants, and chelators.     

Soft X‐ray Ptychographic Imaging and Morphological Quantification of Calcium Silicate Hydrates (C–S–H)

Morphological details of calcium silicate hydrate (C–S–H) stemming from the hydration process of Portland cement (PC) phases are crucial for understanding the PC‐based systems but are still only partially known. Here we introduce the first soft X‐ray ptychographic imaging of tricalcium silicate (C₃S) hydration products. The results are compared using both scanning transmission X‐ray and electron transmission microscopy data. The evidence shows that ptychography is a powerful method to visualize the details of outer and inner product C–S–H of fully hydrated C₃S, which have fibrillar and an interglobular structure with average void sizes of 20 nm, respectively. The high‐resolution ptychrography image enables us to perform morphological quantification of C–S–H, and, for the first time, to possibly distinguish the contributions of inner and outer product C–S–H to the small angle scattering of cement paste. The results indicate that the outer product C–S–H is mainly responsible for the q^?3 regime, whereas the inner product C–S–H transitions to a q^?2 regime. Various hypotheses are discussed to explain these regimes.     

Zn in Athenian Black Gloss Ceramic Slips: A Trace Element Marker for Fabrication Technology

The black‐colored pottery slips produced in Athens from the 6th to 4th centuries B.C., had a consistent composition achieved through processing and refinement of raw clay. Little direct evidence has been established as to what were these refinement methods. To better understand how the slip material was prepared, the major and trace elemental compositions of 19 slips from different ceramic vessels and their corresponding bodies of Athenian red‐figure and black‐figure vases were determined using laser ablation inductively coupled plasma mass spectrometry (LA‐ICPMS). Notably higher Zn concentrations were found in the slips (271–1959 ppm) than in their corresponding body ceramics (<361 ppm). The Zn concentrations in the slips were also found to be above the natural background for typical clay (between 10 and 300 ppm) suggesting an unintentional anthropogenic enrichment of this metal. Based on the abnormally high Zn content of the slip, it is speculated that the clay was treated using vitriol (concentrated acid mine runoff which is rich in Zn), to induce flocculation and remove carbonate mineral phases from the raw material that, if present, would prevent the slip from vitrifying. This same signature of elevated levels of Zn with a corresponding Ce anomaly is also observed for black glosses produced in Corinthian and Etrurian (Italy) workshops indicating that these trace element signatures were imparted to the material by means of shared methods of manufacturing instead of being indicative of a single unique source for this material.     

Understanding the Flash Sintering of Rare‐Earth‐Doped Ceria for Solid Oxide Fuel Cell

A novel electrical current applied technique known as flash sintering has been applied to rapidly (within 10 min) densify electrolytes including Ce_0.8Gd_0.2O_1.9 (GDC20), Ce_0.9Gd_0.1O_1.95 (GDC10), and Ce_0.8Sm_0.2O_1.9 (SDC20) for application in Solid Oxide Fuel Cells (SOFCs). The densification temperature for the three electrolytes was 554°C, 635°C, and 667°C, respectively, which is far below conventional sintering temperatures. All specimens after flash sintering maintained the pure fluorite structure and exhibited a well‐densified microstructure. To investigate the flash‐sintering mechanism, we have applied Joule heating effect with blackbody radiation theory, and found that this theory could reasonably interpret the flash‐sintering phenomenon by matching theoretically calculated temperature with the real temperature. More importantly, one of the materials inherent properties, the electronic conductivity, has been found correlated with the onset of flash sintering, which indicates that the electrons and holes are the primary current carriers during the start of flash‐sintering process. As a result, potential densification mechanisms have been discussed in terms of spark plasma discharge.     

Segmentation of video background regions based on a DTCNN-clustering approach

We propose a novel algorithm for segmentation of video background models in time-variant scenarios. It is robust to gradual or abrupt illumination changes, diverse kind of noises, and even scenario variation. The algorithm generates regions according to the scene composition by keeping region segmentation coherence. The proposed method based on a discrete-time cellular neural network estimates the number regions in the current background model, and then, a modified k-means algorithm is used to achieve segmentation. The findings demonstrate the robustness of the method and its superiority over two state of the art scene segmentation algorithms.     

Time‐space PGD for the rapid solution of 3D nonlinear parametrized problems in the many‐query context

This work deals with the question of the resolution of nonlinear problems for many different configurations in order to build a ‘virtual chart’ of solutions. The targeted problems are three‐dimensional structures driven by Chaboche‐type elastic‐viscoplastic constitutive laws. In this context, parametric analysis can lead to highly expensive computations when using a direct treatment. As an alternative, we present a technique based on the use of the time‐space proper generalized decomposition in the framework of the LATIN method. To speed up the calculations in the parametrized context, we use the fact that at each iteration of the LATIN method, an approximation over the entire time‐space domain is available. Then, a global reduced‐order basis is generated, reused and eventually enriched, by treating, one‐by‐one, all the various parameter sets. The novelty of the current paper is to develop a strategy that uses the reduced‐order basis for any new set of parameters as an initialization for the iterative procedure. The reduced‐order basis, which has been built for a set of parameters, is reused to build a first approximation of the solution for another set of parameters. An error indicator allows adding new functions to the basis only if necessary. The gain of this strategy for studying the influence of material or loading variability reaches the order of 25 in the industrial examples that are presented. Copyright © 2015 John Wiley & Sons, Ltd.