Evaluating the Interactions of Co2-Ionic Liquid Systems through Molecular Modeling

Owing to the stringent environmental legislations, CO2 capture and sequestration is one of the viable solutions to reduce the CO2 emissions from various sources. In this context, Ionic liquids (ILs) are being investigated as suitable absorption media for CO2 capture. Due to their non-evaporative, non-toxic, and non-corrosive nature, these ILs have the potential to replace the existing solvents like aqueous amine solutions for CO2 separation technologies. Thus, the present work aims at studying the important aspects such as the interactions of CO2 molecule with different anions (F-, Br-, Cl-, NO3 -, BF4 -, PF6 -, Tf2N-, and CF3SO3 -) that are commonly used in ILs through molecular modeling. In this, the minimum energy structures have been obtained using Ab initio based calculations at MP2 (Moller-Plesset perturbation) level. Results revealed various degrees of distortion of CO2 molecule (from its linearity) with the anions studied, most likely due to the Lewis acid-base interactions between CO2 and anion. Furthermore, binding energies for the anion-CO2 complexes were also calculated. The implication of anion-CO2 interactions to the solubility of CO2 in ionic liquids is also discussed.

The Influence of Surface Potential on the Kinetics of Bovine Serum Albumin Adsorption on a Biomedical Grade 316LVM Stainless Steel Surface

Polarization modulation infrared reflection absorption spectroscopy (PM-IRRAS) in combination with electrochemistry, was employed to study the influence of surface charge (potential) on the kinetics of bovine serum albumin (BSA) adsorption on a biomedical-grade 316LVM stainless steel surface is discussed. The BSA adsorption kinetics was found to greatly depend on the surface potential. With an increase in surface potential towards more negative values, both the BSA initial adsorption rate and the equilibrium (saturated) surface concentration also increased. Both effects were explained on the basis of replacement of well-ordered water molecules at the 316LVM / solution interface, i.e. by the increase in entropy of the system.

The Effect of Unburned Carbon on Coal Fly Ash toward its Adsorption Capacity for Methyl Violet

Coal fly ash (CFA) generated by coal-based thermal power plants is mainly composed of quartz, mullite, and unburned carbon. In this study, the effect of unburned carbon on CFA toward its adsorption capacity was investigated. CFA with various carbon content was obtained by refluxing it with sulfuric acid having various concentration at various temperature and reflux time, by heating at 400-800°C, and by sieving into 100-mesh in particle size. To evaluate the effect of unburned carbon on CFA toward its adsorption capacity, adsorption of methyl violet solution with treated CFA was carried out. The research shows that unburned carbon leads to adsorption capacity decrease. The highest adsorption capacity of treated CFA was found 5.73 x 10-4mol.g-1.

Characterization of Catalagzi Fly Ash for Heavy Metal Adsorption

Fly ash is a significant waste that is released of thermal power plants and defined as very fine particles that are drifted upward with up taken by the flue gases due to the burning of used coal [1]. The fly-ash is capable of removing organic contaminants in consequence of high carbon content, a large surface area per unit volume and contained heavy metals. Therefore, fly ash is used as an effective coagulant and adsorbent by pelletization [2, 3]. In this study, the possibility of use of fly ash taken from Turkey like low-cost adsorbent for adsorption of zinc ions found in waste water was investigated. The fly ash taken from Turkey was pelletized with bentonite and molass to evaluate the adsorption capaticity. For this purpose; analyses such as sieve analysis, XRD, XRF, FTIR and SEM were performed. As a result, it was seen that pellets prepared from fly ash, bentonite and molass would be used for zinc adsorption.

Removal of Cationic Heavy Metal and HOC from Soil-Washed Water Using Activated Carbon

Soil washing process with a surfactant solution is a potential technology for the rapid removal of hydrophobic organic compound (HOC) from soil. However, large amount of washed water would be produced during operation and this should be treated effectively by proper methods. The soil washed water for complex contaminated site with HOC and heavy metals might contain high amount of pollutants such as HOC and heavy metals as well as used surfactant. The heavy metals in the soil washed water have toxic effects on microbial activities thus these should be removed from the washed water before proceeding to a biological waste-water treatment system. Moreover, the used surfactant solutions are necessary to be recovered for reducing the soil washing operation cost. In order to simultaneously remove the heavy metals and HOC from soil-washed water, activated carbon (AC) was used in the present study. In an anionic-nonionic surfactant mixed solution, the Cd(II) and phenanthrene (PHE) were effectively removed by adsorption on activated carbon. The removal efficiency for Cd(II) was increased from 0.027 mmol-Cd/g-AC to 0.142 mmol-Cd/g-AC as the mole ratio of SDS increased in the presence of PHE. The adsorptive capacity of PHE was also increased according to the SDS mole ratio due to the decrement of molar solubilization ratios (MSR) for PHE in an anionic-nonionic surfactant mixture. The simultaneous adsorption of HOC and cationic heavy metals using activated carbon could be a useful method for surfactant recovery and the reduction of heavy metal toxicity in a surfactant-enhanced soil washing process.

Properties of Bricks Produced With Recycled Fine Aggregate

The main aim of this research is to study the possible use of recycled fine aggregate made from waste rubble wall to substitute partially for the natural sand used in the production of cement and sand bricks. The bricks specimens were prepared by using 100% natural sand; they were then replaced by recycled fine aggregate at 25, 50, 75, and 100% by weight of natural sand. A series of tests was carried out to study the effect of using recycled aggregate on the physical and mechanical properties of bricks, such as density, drying shrinkage, water absorption characteristic, compressive and flexural strength. Test results indicate that it is possible to manufacture bricks containing recycled fine aggregate with good characteristics that are similar in physical and mechanical properties to those of bricks with natural aggregate, provided that the percentage of recycled fine aggregates is limited up to 50-75%.

Adsorption of H2 and CO on Iron-based Catalysts for Fischer-Tropsch Synthesis

The adsorption properties of CO and H2 on iron-based catalyst with addition of Zr and Ni were investigated using temperature programmed desorption process. It was found that on the carburized iron-based catalysts, molecular state and dissociative state CO existed together. The addition of Zr was preferential for the molecular state adsorption of CO on iron-based catalyst and the presence of Ni was beneficial to the dissociative adsorption of CO. On H2 reduced catalysts, hydrogen mainly adsorbs on the surface iron sites and surface oxide sites. On CO reduced catalysts, hydrogen probably existed as the most stable CH and OH species. The addition of Zr was not benefit to the dissociative adsorption of hydrogen on iron-based catalyst and the presence of Ni was preferential for the dissociative adsorption of hydrogen.

Broad-Band Chiral Reflectors based on Nano-Structured Biological Materials

In this work we study the reflection of circularly polarised light from a nano-structured biological material found in the exocuticle of scarabus beetles. This material is made of a stack of ultra-thin (~5 nm) uniaxial layers arranged in a left-handed helicoidal stack, which resonantly reflects circularly polarized light. A chirp in the layer thickness combined with a finite absorption coefficient produce a broad smooth reflectance spectrum. By comparing model calculations and electron microscopy with measured spectra we can explain our observations and quantify most relevant structural parameters.

A New Physical Modeling for Multiquantum Well Structure APD Considering Nonuniformity of Electric Field in Active Regin

In the present work we model a Multiquantum Well structure Separate Absorption and Charge Multiplication Avalanche Photodiode (MQW-SACM-APD), while the Absorption region coincide with the MQW. We consider the nonuniformity of electric field using split-step method in active region. This model is based on the carrier rate equations in the different regions of the device. Using the model we obtain the photocurrent, and dark current. As an example, InGaAs/InP SACM-APD and MQW-SACM-APD are simulated. There is a good agreement between the simulation and experimental results.

Adsorption Capacity of Chitosan Beads in Toxic Solutions

The efficiency of chitosan beads processed from 4 marine animal shells; white leg shrimp (Litopenaeus vannamei), mud crab (Scylla sp.), horseshoe crab (Carcinoscorpius rotundicauda), and cuttlefish bone (Sepia sp.), for the adsorption experiments of ammonia and formaldehyde were investigated. The porosities of chitosan from the shells looked like beads were distinctly examined under SEM. The original pores of those shells on the surface areas compose of evenly fine pores. The shell beads of cuttlefish bone and horseshoe crab show the larger probably even porosity, while on those white leg shrimp and mud crab contain various large and fine pores. The best adsorption at pH 9 in 18 mg/l ammonia at 2 hours yield on cuttlefish bone, horseshoe crab, mud crab and white leg shrimp with the average percent of 59.12, 51.45, 45.66 and 43.52, respectively. Within 30 minutes the formaldehyde absorbers (at pH 5 in 8 μg/ml) revealed 46.27, 26.56, and 18.04 percent capacities in cuttlefish bone, mud crab and white leg shrimp beads; while 22.44 percent in the horseshoe crab at pH 7. The adsorption capacities and the amounts of beads showed a positive correlation. The adsorption capacity relationship between pH and the gas concentrations were affected by these qualities of chitosan beads.

Mercerization Treatment Parameter Effect on Natural Fiber Reinforced Polymer Matrix Composite: A Brief Review

Environmental awareness and depletion of the petroleum resources are among vital factors that motivate a number of researchers to explore the potential of reusing natural fiber as an alternative composite material in industries such as packaging, automotive and building constructions. Natural fibers are available in abundance, low cost, lightweight polymer composite and most importance its biodegradability features, which often called “ecofriendly" materials. However, their applications are still limited due to several factors like moisture absorption, poor wettability and large scattering in mechanical properties. Among the main challenges on natural fibers reinforced matrices composite is their inclination to entangle and form fibers agglomerates during processing due to fiber-fiber interaction. This tends to prevent better dispersion of the fibers into the matrix, resulting in poor interfacial adhesion between the hydrophobic matrix and the hydrophilic reinforced natural fiber. Therefore, to overcome this challenge, fiber treatment process is one common alternative that can be use to modify the fiber surface topology by chemically, physically or mechanically technique. Nevertheless, this paper attempt to focus on the effect of mercerization treatment on mechanical properties enhancement of natural fiber reinforced composite or so-called bio composite. It specifically discussed on mercerization parameters, and natural fiber reinforced composite mechanical properties enhancement.

Adsorption Studies on the Removal of Pesticides(Carbofuran) using Activated Carbon from Rice Straw Agricultural Waste

In this study, we used a two-stage process and potassium hydroxide (KOH) to transform waste biomass (rice straw) into activated carbon and then evaluated the adsorption capacity of the waste for removing carbofuran from an aqueous solution. Activated carbon was fast and effective for the removal of carbofuran because of its high surface area. The native and carbofuran-loaded adsorbents were characterized by elemental analysis. Different adsorption parameters, such as the initial carbofuran concentration, contact time, temperature and pH for carbofuran adsorption, were studied using a batch system. This study demonstrates that rice straw can be very effective in the adsorption of carbofuran from bodies of water.

The role of pH on Cr(VI) Reduction and Removal by Arthrobacter Viscosus

Arthrobacter viscosus biomass was used for Cr(VI) biosorption. The effect of pH on Cr(VI) reduction and removal from aqueous solution was studied in the range of 1-4. The Cr(VI) removal involves both redox reaction and adsorption of metal ions on biomass surface. The removal rate of Cr(VI) was enhanced by very acid conditions, while higher solution pH values favored the removal of total chromium. The best removal efficiency and uptake were reached at pH 4, 72.5 % and 12.6 mgCr/gbiomass, respectively.

Effect of Cold Plasma-Surface Modification on Surface Wettability and Initial Cell Attachment

A thin coating of hexamethyldisiloxane and subsequent O2-plasma treatment was performed on mirror-polished titanium in order to regulate the wide range of wettability including 106 and almost 0 degrees of contact angles. The adsorption behavior of fibronectin and albumin in both individual and competitive mode, and initial attachment of fibroblasts and osteoblasts were investigated. Individually, fibronectin adsorption showed a biphasic inclination, whereas albumin showed greater adsorption to hydrophobic surfaces. In competitive mode, in solution containing both fibronectin and albumin, fibronectin showed greater adsorption on hydrophilic surfaces, whereas Alb predominantly adsorbed on hydrophobic surfaces. Initial attachment of both cells increased with increase in surface wettability, in particular, on super-hydrophilic surface, which correlated well with fibronectin adsorption in competitive mode. These results suggest that a cold plasma-surface modification enabled to regulate the surface wettability, and fibronectin adsorption may be responsible for increasing cell adhesion on hydrophilic surfaces in a body fluid

Design and Implementation of an Intelligent System for Detection of Hazardous Gases using PbPc Sensor Array

The voltage/current characteristics and the effect of NO2 gas on the electrical conductivity of a PbPc gas sensor array is investigated. The gas sensor is manufactured using vacuum deposition of gold electrodes on sapphire substrate with the leadphathalocyanine vacuum sublimed on the top of the gold electrodes. Two versions of the PbPc gas sensor array are investigated. The tested types differ in the gap sizes between the deposited gold electrodes. The sensors are tested at different temperatures to account for conductivity changes as the molecular adsorption/desorption rate is affected by heat. The obtained results found to be encouraging as the sensors shoed stability and sensitivity towards low concentration of applied NO2 gas.

HDS: Alumina- Boria Supported Catalysts

Hydrodesulfurization (HDS) of dibenzothiophene (DBT) in a high pressure batch reactor was done at 320 °C on CoMoS/Al2O3-B2O3 (4, 10, and 16 wt. % of Boria) using nhexadecane as solvent, dimethyldisulfide (DMDS) in tetradecane as sulfur agent, and stirring at 1000 rpm. The effects of boria were investigated by using X-ray diffraction (XRD), Temperature programmed desorption (TPD) of ammonia, and Brunauer-Emmet- Teller (BET) experiments. The results showed that the catalyst prepared with low boria content (4 wt. %) had HDS activity (in pseudo first order kinetic constant basis) value ~1.45 times higher to that of CoMoS/Al2O3 catalyst.

Kinetics of Palm Oil Cracking in Batch Reactor

The kinetics of palm oil catalytic cracking over aluminum containing mesoporous silica Al-MCM-41 (5% Al) was investigated in a batch autoclave reactor at the temperatures range of 573 – 673 K. The catalyst was prepared by using sol-gel technique and has been characterized by nitrogen adsorption and x-ray diffraction methods. Surface area of 1276 m2/g with average pore diameter of 2.54 nm and pore volume of 0.811 cm3/g was obtained. The experimental catalytic cracking runs were conducted using 50 g of oil and 1 g of catalyst. The reaction pressure was recorded at different time intervals and the data were analyzed using Levenberg- Marquardt (LM) algorithm using polymath software. The results show that the reaction order was found to be -1.5 and activation energy of 3200 J/gmol.

Mathematical Modelling of Venturi Scrubber for Ammonia Absorption

In this study, the dispersed model is used to predict gas phase concentration, liquid drop concentration. The venturi scrubber efficiency is calculated by gas phase concentration. The modified model has been validated with available experimental data of Johnstone, Field and Tasler for a range of throat gas velocities, liquid to gas ratios and particle diameters and is used to study the effect of some design parameters on collection efficiency.

Spectral Analysis of Radiation-Induced Natural Convection in Littoral Waters

The mixing of pollutions and sediments in near shore regions of natural water bodies depends heavily on the characteristics such as the strength and frequency of flow instability. In the present paper, the instability of natural convection induced by absorption of solar radiation in littoral regions is considered. Spectral analysis is conducted on the quasi-steady state flow to reveal the power and frequency modes of the instability at various positions. Results indicate that the power of instability, the number of frequency modes, the prominence of higher frequency modes, and the highest frequency mode increase with the offshore distance and/or Rayleigh number. Harmonic modes are present at relatively low Rayleigh numbers. For a given offshore distance, the position with the strongest power of instability is located adjacent to the sloping bottom while the frequency modes are the same over the local depth. As the Rayleigh number increases, the unstable region extends toward the shore.

Removal of Heavy Metals from Rainwater in Batch Reactors with Sulphate Reducing Bacteria (SRB)

The main objective of this research was to investigate the biosorption capacity for biofilms of sulphate reducing bacteria (SRB) to remove heavy metals, such as Zn, Pb and Cd from rainwater using laboratory-scale reactors containing mixed support media. Evidence showed that biosorption had contributed to removal of heavy metals including Zn, Pb and Cd in presence of SRB and SRB were also found in the aqueous samples from reactors. However, the SRB and specific families (Desulfobacteriaceae and Desulfovibrionaceae) were found mainly in the biomass samples taken from all reactors at the end of the experiment. EDX-analysis of reactor solids at end of experiment showed that heavy metals Zn, Pb and Cd had also accumulated in these precipitates.