Application of mesoporous magnetic carbon composite for reactive dyes removal: Process optimization using response surface methodology

Discharging the effluents of textile wastewaters into potable water resources can endanger the ecosystem, due to their reactivity, toxicity, and chemical stability. In this research, the application of powder activated carbon modified with magnetite nanoparticles (PAC-MNPs) as an adsorbent for removal of reactive dyes (Reactive black 5 (RB5) and reactive red 120 (RR120)) was studied in a batch system. The adsorption performance was evaluated as a function of temperature, contact time and different adsorbent and adsorbate concentrations. The levels of factors were statistically optimized using Box-Behnken Design (BBD) from the response surface methodology (RSM) to maximize the efficiency of the system. The adsorption process of both dyes was fit with the pseudo-second order kinetic and Langmuir isotherm models. The identified optimum conditions of adsorption were 38.7 °C, 46.3 min, 0.8 g/L and 102 mg/L for temperature, contact time, adsorbent dose, and initial dyes concentration, respectively. According to the Langmuir isotherm, the maximum sorption capacities of 175.4 and 172.4 mg/g were obtained for RB5 and RR120, respectively. Thermodynamics studies indicated that the adsorption process of the reactive dyes was spontaneous, feasible, and endothermic. After five cycles, the adsorption efficiency was around 84 and 83% for RB5 and RR120, respectively. A high value of desorption was achieved, suggesting that the PAC-MNPs have a good potential in regeneration and reusability, and also can be effectively utilized in industrial applications. PAC-MNPs also show a good anti-interference potential for removal of reactive dyes in dye-industry wastewaters.     

Simultaneous multi-objective optimization of a new promoted ethylene dimerization catalyst using grey relational analysis and entropy measurement

A hybrid approach between the Taguchi method and grey relational analysis (GRA) with entropy measurement was applied to determine a single optimum setting for reaction factors of the proposed ethylene dimerization catalyst having overall selectivity to 1-butene (S_1-btn (%)) and turnover frequency (TOF (h^-1)) as multiple quality characteristics. Titanium tetrabutoxide (Ti(OC₄H₉)₄) catalyst precursor in combination with triethyl aluminum (TEA) activator, 1,4-dioxane as a suitable modifier, and ethylene dichloride (EDC) as a novel promoter were used in the catalysis. Control factors of temperature, pressure, Al/Ti, 1,4-dioxane/Ti, and EDC/Ti mol ratios were investigated on three levels and their main effects were discussed. The effect of the binary interaction between temperature, pressure, and Al/Ti mol ratio was also examined. Weight of the responses was determined using entropy. Analysis of variance (ANOVA) for data obtained from GRA indicated that EDC/Ti mol ratio with 27.64% contribution had the most profound effect on the multiple quality characteristics. Development of the weighted Grey-Taguchi method used the Taguchi method as its basic structure, adopted GRA to deal with multiple responses, and entropy to enhance the reasonability of the comprehensive index produced by GRA to make the results more objective and accurate. Overall, these combined mathematical techniques improved catalytic performance for 1-butene production.     

A modified thermodynamic insight to deliquescence of a void‐containing nanocrystal confirmed by MD simulation

Existence of voids in crystalline structures can affect their physical and chemical properties considerably. When the size of the crystal reaches to nanoscale, experimental determination of its void fraction is difficult. In this work, a molecular dynamics approach is introduced to find equilibrium void fractions of a simple cubic (CsCl) and fcc (KCl) nanocrystals by determination of their deliquescence relative humidity (DRH) for different sizes and void fractions and extrapolation of the results to the bulk limit. To confirm the simulation results, the size dependency of DRH to the nanoparticle size was studied thermodynamically by inclusion of size‐dependent density of water nanodroplet which leads to a simple homographic equation. This method proposes the equilibrium void percents of CsCl and KCl nanoparticles to be 10 and 15%, respectively, which are obtained by extrapolation of the results to the bulk limit. The success of obtained Möbius function was also confirmed by fitting it to experimental data for deliquescence of NaCl nanoparticles which implies the importance of considering density of water nanodroplet as a size dependent quantity. Also, using the mentioned thermodynamic approach, void dependency of deliquescence for the nanoparticles was found to be as a quasi‐linear trend which is compatible with the simulation results. It is noticeable that the approach used this work for determination of equilibrium void fraction is only valid if the utilized force fields are accurate. © 2016 American Institute of Chemical Engineers AIChE J, 62: 4066–4077, 2016     

Graphene nanoplatelets dispersion in poly(<Emphasis Type="SmallCaps">l</Emphasis>-lactic acid): preparation method and its influence on electrical,crystallinity and thermomechanical properties

Poly(l-lactic acid) (PLLA)/graphene nanoplatelets (GnP) nanocomposites were prepared through solvent casting and coagulation methods. The better dispersion of graphene was achieved by ultrasounds and its effect on crystallinity, thermomechanical and electrical properties of PLLA were studied and compared in both methods. Differential scanning calorimetry (DSC) was used to investigate the crystallinity of PLLA and its composites. Field emission gun scanning electron microscope (FEG-SEM) and wide-angle X-ray scattering (WAXS) were employed to characterize the microstructure of PLLA crystallites. Dynamic mechanical thermal analysis (DMTA) was performed to study the thermomechanical properties of the nanocomposites. FEG-SEM images illustrated finer dispersion of GnP in samples obtained by coagulation method with respect to solvent casting method. Graphene imparted higher electrical conductivity to nanocomposites obtained by solvent casting under ultrasound due to better formation of graphene network. DSC thermograms and their resulting data showed positive effects of GnP on crystallization kinetics of PLLA in both methods enhanced by the nucleating effect of graphene particles. Meanwhile, the effect of GnP, as nucleating agent, was more prominent in samples produced by coagulation method without utilization of ultrasounds. WAXS patterns represented the same characteristic peaks of PLLA in nanocomposite specimens suggesting similar crystalline structure of PLLA in presence of graphene, and the intensified peaks of nanocomposites compared to neat PLLA confirmed the DSC results regarding its improved crystallinity. Graphene increased storage modulus in rubbery region and glass transition temperature of nanocomposites in the coagulation method due to restricted mobility of PLLA chains.     

Evaluation of soil liquefaction potential using energy approach: experimental and statistical investigation

Bulletin of Engineering Geology and the Environment - Liquefaction has caused many catastrophes during earthquakes in the past . The strain energy-based method is one of the modern methods used to...     

An efficient and direct method for out-of-plane buckling analysis of Y-braced steel frames

Dimensionless design-oriented charts are introduced for customising a new and efficient method of computing the out-of-plane critical buckling load of Y-braced steel frame systems. These charts are derived from extensive parametric studies on the basis of an “exact solution”, within the limits of the Eulerian theory, stability analysis, using a wide array of geometric characteristics of practical interest. Demonstrated with numerical examples, these calculations are shown to yield, in a very efficient way, accurate critical load values of these systems. The charts can be used for practical design of Y-brace elements.     

Improvement of Glass Transition and Flowability of Reduced-Fat Coffee Creamer: Effect of Fat Replacer and Fluidized Bed Drying

This study was conducted to investigate the effects of inulin (0, 2.5, 5, and 7.5 %), maltodextrin (0, 15, 20, and 25 %), and different drying processes (one- and two-stage drying) on the morphology and physicochemical properties of regular and instant reduced-fat creamers. The present study showed that the drum-dried creamer containing 0 % maltodextrin and 0 % inulin was fully sticky powder with dark brown color. It was found that the maximum increase in maltodextrin (from 0 to 25 %) and inulin (from 0 to 7.5 %) resulted in the creamer with the highest glass transition temperature and the lowest stickiness among all formulated creamers. The application of two-stage drying involving fluidized bed drying resulted in further improvement of the glass transition temperature and stickiness of the reduced fat instant creamer. The instant creamers obtained from two-stage drying had considerably higher glass transition temperature and lower bulk density than the regular creamers from one-stage drying. Such improvement could be due to the reduction of bulk density induced by fluidized bed drying. This might be because of higher porosity of the creamer particles after agglomeration. The current study revealed that the addition of high amounts of inulin and maltodextrin also played a significant role in the reduction of bulk density and further improvement of glass transition temperature (T_g) and solubility of the reduced fat creamer. The instant reduced fat creamer containing 25 % maltodextrin and 7.5 % inulin had the most desirable characteristics among all formulated creamers.     

Performance evaluation of open-cycle solar regenerator using artificial neural network technique

Theoretical investigation on the performance of lithium chloride (LiCl) absorption cooling system using an artificial neural network (ANN) model is presented. Tabulated data from the literature are used to construct the ANN model. Solar collector desiccant/regenerator is applied to re-concentrate the working solution. Using the proposed model, the effect of system design parameters; namely regenerator length, and air flow rate on the performance of the system is demonstrated. The variation of the thermo-physical parameters along the regenerator length is highlighted.     

Kinetic Model for Invertase‐Induced Sucrose Hydrolysis: Initial Time Lag

The kinetics of sucrose hydrolysis by invertase was studied in order to find a comprehensive model for the reaction pathway and mechanism. First, three common models of Michaelis‐Menten (MM), substrate inhibition (S²), and substrate clusters' inhibition (S³(I)) were investigated. The third model was found to better predict the initial sucrose concentration. Then, the S³(I) model was modified to cover the remaining pathway (S³(II)). Finally, a new comprehensive model (S³(III)) was evaluated, which in addition to what is considered in the two previously mentioned models (S³(I) and S³(II)) also involved the initial time lag. The model predictions showed an excellent agreement with the experimental data. The mean absolute error for the MM model is significantly reduced for the S³(III) model.     

An Application of Computer‐Aided Molecular Design (CAMD) Using the Signature Molecular Descriptor–Part 2. Evaluating Newly Identified Surface Tension‐Reducing Substances for Potential Use as Shrinkage‐Reducing Admixtures

In this study, the use of computer‐aided molecular design (CAMD) is validated as a tool for enabling the discovery of new shrinkage‐reducing compounds for possible use in portland cement composites and is framed as one of many multiscale modeling tools in a broad hierarchy of possibilities. Twelve additives were tested for their ability to inhibit shrinkage in Type I ordinary portland cement under both autogenous and drying conditions. The 12 additives included two commercial shrinkage‐reducing admixtures (SRAs), two active ingredients of a commercial admixture [one of which was used to establish the quantitative structure–property relationships (QSPR)], two additional classified as potential SRA compounds based on the patent literature, four newly identified compounds predicted by using CAMD and an inverse quantitative structure–property relationship (I‐QSPR), and two other compounds use to establish the QSPR relationship. The newly identified I‐QSPR compounds were targeted for their ability to reduce the surface tension of water, a primary consideration for shrinkage‐reducing activity. Results for both drying shrinkage and autogenous shrinkage indicate that the designed compounds perform similar to commercial admixtures, yet have different chemical functionalities. Hydration data and set measurements were also considered since selection of new SRAs is a multiparameter problem with many constraints. Thus, these newly identified shrinkage‐reducing compounds can potentially provide additional options for use in portland cement concrete applications.