Search results for: molecular liquids
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 352

Search results for: molecular liquids

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

Authors: S. Yamini Sudha, Ashok Khanna

Abstract:

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.

Keywords: CO2, Ionic liquids, capture, molecular modeling, sequestration.

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351 Simulations of Cryogenic Cavitation of Low Temperature Fluids with Thermodynamics Effects

Authors: A. Alhelfi, B. Sunden

Abstract:

Cavitation in cryogenic liquids is widely present in contemporary science. In the current study, we re-examine a previously validated acoustic cavitation model which was developed for a gas bubble in liquid water. Furthermore, simulations of cryogenic fluids including the thermal effect, the effect of acoustic pressure amplitude and the frequency of sound field on the bubble dynamics are presented. A gas bubble (Helium) in liquids Nitrogen, Oxygen and Hydrogen in an acoustic field at ambient pressure and low temperature is investigated numerically. The results reveal that the oscillation of the bubble in liquid Hydrogen fluctuates more than in liquids Oxygen and Nitrogen. The oscillation of the bubble in liquids Oxygen and Nitrogen is approximately similar.

Keywords: Cryogenic liquids, cavitation, rocket engineering, ultrasound.

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350 Numerical Simulation of Electric and Hydrodynamic Fields Distribution in a Dielectric Liquids Electrofilter Cell

Authors: Narcis C. Ostahie, Tudor Sajin

Abstract:

In this paper a numerical simulation of electric and hydrodynamic fields distribution in an electrofilter for dielectric liquids cell is made. The simulation is made with the purpose to determine the trajectory of particles that moves under the action of external force in an electric and hydrodynamic field created inside of an electrofilter for dielectric liquids. Particle trajectory is analyzed for a dielectric liquid-solid particles suspension.

Keywords: Dielectric liquids, electrohydrodynamics, energy, high voltage, particles

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349 The Investigations of Water-ethanol Mixture by Monte Carlo Method

Authors: Atamas N. A., Atamas A. A.

Abstract:

Energetic and structural results for ethanol-water mixtures as a function of the mole fraction were calculated using Monte Carlo methodology. Energy partitioning results obtained for equimolar water-ethanol mixture and ether organic liquids are compared. It has been shown that at xet=0.22 the RDFs for waterethanol and ethanol-ethanol interactions indicated strong hydrophobic interactions between ethanol molecules and the local structure of solution is less structured at this concentration as at ether ones. Results obtained for ethanol-water mixture as a function of concentration are in good agreement with the experimental data.

Keywords: Ethanol, molecular liquids, Monte Carlo, water, thermodynamics.

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348 Automated Separation of Organic Liquids through Their Boiling Points

Authors: Muhammad Tahir Qadri, Syed Shafi-Uddin Qadri, Faizan Farid, Nabeel Abid

Abstract:

This paper discuss the separation of the miscible liquids by means of fractional distillation. For complete separation of liquids, the process of heating, condensation, separation and storage is done automatically to achieve the objective. PIC micro-controller has been used to control each and every process of the work. The controller also controls the storage process by activating and deactivating the conveyors. The liquids are heated which on reaching their respective boiling points evaporate and enter the condensation chamber where they convert into liquid. The liquids are then directed to their respective tanks by means of stepper motor which moves in three directions, each movement into different tank. The tank on filling sends the signal to controller which then opens the solenoid valves. The tank is emptied into the beakers below the nozzle. As the beaker filled, the nozzle closes and the conveyors come into operation. The filled beaker is replaced by an empty beaker from behind. The work can be used in oil industries, chemical industries and paint industries.

Keywords: Miscible Liquid Separation Unit, Distillation, Waste Water Treatment, Organic Liquids Collection.

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347 Ionic Liquid Pretreatment and Enzymatic Hydrolysis of Wood Biomass

Authors: M. Ungurean, F. Fitigau, C. Paul, A. Ursoiu, F. Peter

Abstract:

Pretreatment of lignocellulosic biomass materials from poplar, acacia, oak, and fir with different ionic liquids (ILs) containing 1-alkyl-3-methyl-imidazolium cations and various anions has been carried out. The dissolved cellulose from biomass was precipitated by adding anti-solvents into the solution and vigorous stirring. Commercial cellulases Celluclast 1.5L and Accelerase 1000 have been used for hydrolysis of untreated and pretreated lignocellulosic biomass. Among the tested ILs, [Emim]COOCH3 showed the best efficiency, resulting in highest amount of liberated reducing sugars. Pretreatment of lignocellulosic biomass using glycerol-ionic liquids combined pretreatment and dilute acid-ionic liquids combined pretreatment were evaluated and compared with glycerol pretreatment, ionic liquids pretreatment and dilute acid pretreatment.

Keywords: Cellulase, enzymatic hydrolysis, lignocellulosicbiomass, pretreatment.

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346 Experimental Investigations on the Mechanism of Stratified Liquid Mixing in a Cylinder

Authors: Chai Mingming, Li Lei, Lu Xiaoxia

Abstract:

In this paper, the mechanism of stratified liquids’ mixing in a cylinder is investigated. It is focused on the effects of Rayleigh-Taylor Instability (RTI) and rotation of the cylinder on liquid interface mixing. For miscible liquids, Planar Laser Induced Fluorescence (PLIF) technique is applied to record the concentration field for one liquid. Intensity of Segregation (IOS) is used to describe the mixing status. For immiscible liquids, High Speed Camera is adopted to record the development of the interface. The experiment of RTI indicates that it plays a great role in the mixing process, and meanwhile the large-scale mixing is triggered, and subsequently the span of the stripes decreases, showing that the mesoscale mixing is coming into being. The rotation experiments show that the spin-down process has a great role in liquid mixing, during which the upper liquid falls down rapidly along the wall and crashes into the lower liquid. During this process, a lot of interface instabilities are excited. Liquids mix rapidly in the spin-down process. It can be concluded that no matter what ways have been adopted to speed up liquid mixing, the fundamental reason is the interface instabilities which increase the area of the interface between liquids and increase the relative velocity of the two liquids.

Keywords: Interface instability, liquid mixing, Rayleigh-Taylor Instability, spin-down process, spin-up process.

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345 Basic Calibration and Normalization Techniques for Time Domain Reflectometry Measurements

Authors: Shagufta Tabassum

Abstract:

The study of dielectric properties in a binary mixture of liquids is very useful to understand the liquid structure, molecular interaction, dynamics, and kinematics of the mixture. Time-domain reflectometry (TDR) is a powerful tool for studying the cooperation and molecular dynamics of the H-bonded system. Here we discuss the basic calibration and normalization procedure for TDR measurements. Our aim is to explain different types of error occur during TDR measurements and how to minimize it.

Keywords: time domain reflectometry measurement technique, cable and connector loss, oscilloscope loss, normalization technique

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344 Negative Pressures of Ca. -20 MPA for Water Enclosed into a Metal Berthelot Tube under a Vacuum Condition

Authors: K. Hiro, Y. Imai, M. Tanji, H. Deguchi, K. Hatari

Abstract:

Negative pressures of liquids have been expected to contribute many kinds of technology. Nevertheless, experiments for subjecting liquids which have not too small volumes to negative pressures are difficult even now. The reason of the difficulties is because the liquids tend to generate cavities easily. In order to remove cavitation nuclei, an apparatus for enclosing water into a metal Berthelot tube under vacuum conditions was developed. By using the apparatus, negative pressures for water rose to ca. -20 MPa. This is the highest value for water in metal Berthelot tubes. Results were explained by a traditional crevice model. Keywords

Keywords: Berthelot method, negative pressure, cavitation

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343 Biocompatible Ionic Liquids in Liquid – Liquid Extraction of Lactic Acid: A Comparative Study

Authors: Konstantza Tonova, Ivan Svinyarov, Milen G. Bogdanov

Abstract:

Ionic liquids consisting of a phosphonium cationic moiety and a saccharinate anion are synthesized and compared with their precursors, phosphonium chlorides, in reference to their extraction efficiency towards L-lactic acid. On the base of measurements of the acid and the water partitioning in the equilibrium biphasic systems, the molar ratios between acid, water and ionic liquid are estimated which allows to deduce the lactic acid extractive pathway. The effect of a salting-out addition that strengthens hydrophobicity in both phases is studied in view to reveal the best biphasic system with respect to IL low toxicity and high extraction efficiency.

Keywords: Biphasic system, Extraction, Ionic liquids, Lactic acid.

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342 Ionanofluids as Novel Fluids for Advanced Heat Transfer Applications

Authors: S. M. Sohel Murshed, C. A. Nieto de Castro, M. J. V. Lourenço, J. França, A. P. C. Ribeiro, S. I. C.Vieira, C. S. Queirós

Abstract:

Ionanofluids are a new and innovative class of heat transfer fluids which exhibit fascinating thermophysical properties compared to their base ionic liquids. This paper deals with the findings of thermal conductivity and specific heat capacity of ionanofluids as a function of a temperature and concentration of nanotubes. Simulation results using ionanofluids as coolants in heat exchanger are also used to access their feasibility and performance in heat transfer devices. Results on thermal conductivity and heat capacity of ionanofluids as well as the estimation of heat transfer areas for ionanofluids and ionic liquids in a model shell and tube heat exchanger reveal that ionanofluids possess superior thermal conductivity and heat capacity and require considerably less heat transfer areas as compared to those of their base ionic liquids. This novel class of fluids shows great potential for advanced heat transfer applications.

Keywords: Heat transfer, Ionanofluids, Ionic liquids, Nanotubes, Thermal conductivity.

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341 Molecular Dynamics Simulation of Liquid-Vapor Interface on the Solid Surface Using the GEAR-S Algorithm

Authors: D. Toghraie, A. R. Azimian

Abstract:

In this paper, the Lennard -Jones potential is applied to molecules of liquid argon as well as its vapor and platinum as solid surface in order to perform a non-equilibrium molecular dynamics simulation to study the microscopic aspects of liquid-vapor-solid interactions. The channel is periodic in x and y directions and along z direction it is bounded by atomic walls. It was found that density of the liquids near the solid walls fluctuated greatly and that the structure was more like a solid than a liquid. This indicates that the interactions of solid and liquid molecules are very strong. The resultant surface tension, liquid density and vapor density are found to be well predicted when compared with the experimental data for argon. Liquid and vapor densities were found to depend on the cutoff radius which induces the use of P3M (particle-particle particle-mesh) method which was implemented for evaluation of force and surface tension.

Keywords: Lennard-Jones Potential, Molecular DynamicsSimulation, Periodic Boundary Conditions (PBC), Non-EquilibriumMolecular Dynamics (NEMD).

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340 Improvement of Lipase Catalytic Properties by Immobilization in Hybrid Matrices

Authors: C. Zarcula, R. Croitoru, L. Corîci, C. Csunderlik, F. Peter

Abstract:

Lipases are enzymes particularly amenable for immobilization by entrapment methods, as they can work equally well in aqueous or non-conventional media and long-time stability of enzyme activity and enantioselectivity is needed to elaborate more efficient bioprocesses. The improvement of Pseudomonas fluorescens (Amano AK) lipase characteristics was investigated by optimizing the immobilization procedure in hybrid organic-inorganic matrices using ionic liquids as additives. Ionic liquids containing a more hydrophobic alkyl group in the cationic moiety are beneficial for the activity of immobilized lipase. Silanes with alkyl- or aryl nonhydrolizable groups used as precursors in combination with tetramethoxysilane could generate composites with higher enantioselectivity compared to the native enzyme in acylation reactions of secondary alcohols. The optimal effect on both activity and enantioselectivity was achieved for the composite made from octyltrimethoxysilane and tetramethoxysilane at 1:1 molar ratio (60% increase of total activity following immobilization and enantiomeric ratio of 30). Ionic liquids also demonstrated valuable properties as reaction media for the studied reactions, comparable with the usual organic solvent, hexane.

Keywords: Ionic liquids, lipase, enantioselectivity, sol-gelimmobilization

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339 Targeting the Pulmonary Delivery via Optimizing Physicochemical Characteristics of Instilled Liquid and Exploring Distribution of Produced Liquids by Bench-Top Models and Scintigraphy of Rabbits- Lungs

Authors: Mohammad Nasri, Hossein Mirshekarpour

Abstract:

We aimed to investigate how can target and optimize pulmonary delivery distribution by changing physicochemical characteristics of instilled liquid.Therefore, we created a new liquids group: a. eligible for desired distribution within lung because of assorted physicochemical characteristics b. capable of being augmented with a broad range of chemicals inertly c. no interference on respiratory function d. compatible with airway surface liquid We developed forty types of new liquid,were composed of Carboxymethylcellulose sodium,Glycerin and different types of Polysorbates.Viscosity was measured using a Programmable Rheometer and surface tension by KRUSS Tensiometer.We subsequently examined the liquids and delivery protocols by simple and branched glass capillary tube models of airways.Eventually,we explored pulmonary distribution of liquids being augmented with technetium-99m in mechanically ventilated rabbits.We used a single head large field of view gamma camera.Kinematic viscosity between 0.265Stokes and 0.289Stokes,density between 1g/cm3 and 1.5g/cm3 and surface tension between 25dyn/cm and 35dyn/cm were the most acceptable.

Keywords: Pulmonary delivery, Liquid instillation into airway, Physicochemical characteristics, Optimal distribution.

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338 Design of Liquids Mixing Control System using Fuzzy Time Control Discrete Event Model for Industrial Applications

Authors: M.Saleem Khan, Khaled Benkrid

Abstract:

This paper presents a time control liquids mixing system in the tanks as an application of fuzzy time control discrete model. The system is designed for a wide range of industrial applications. The simulation design of control system has three inputs: volume, viscosity, and selection of product, along with the three external control adjustments for the system calibration or to take over the control of the system autonomously in local or distributed environment. There are four controlling elements: rotatory motor, grinding motor, heating and cooling units, and valves selection, each with time frame limit. The system consists of three controlled variables measurement through its sensing mechanism for feed back control. This design also facilitates the liquids mixing system to grind certain materials in tanks and mix with fluids under required temperature controlled environment to achieve certain viscous level. Design of: fuzzifier, inference engine, rule base, deffuzifiers, and discrete event control system, is discussed. Time control fuzzy rules are formulated, applied and tested using MATLAB simulation for the system.

Keywords: Fuzzy time control, industrial application and timecontrol systems, adjustment of Fuzzy system, liquids mixing system, design of fuzzy time control DEV system.

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337 On the use of Ionic Liquids for CO2 Capturing

Authors: Emad Ali, Inas Alnashef, Abdelhamid Ajbar, Mohamed HadjKali, Sarwono Mulyono

Abstract:

In this work, ionic liquids (ILs) for CO2 capturing in typical absorption/stripper process are considered. The use of ionic liquids is considered to be cost-effective because it requires less energy for solvent recovery compared to other conventional processes. A mathematical model is developed for the process based on Peng-Robinson (PR) equation of state (EoS) which is validated with experimental data for various solutions involving CO2. The model is utilized to study the sorbent and energy demand for three types of ILs at specific CO2 capturing rates. The energy demand is manifested by the vapor-liquid equilibrium temperature necessary to remove the captured CO2 from the used solvent in the regeneration step. It is found that higher recovery temperature is required for solvents with higher solubility coefficient. For all ILs, the temperature requirement is less than that required by the typical monoethanolamine (MEA) solvent. The effect of the CO2 loading in the sorbent stream on the process performance is also examined.

Keywords: Ionic liquid, CO2 capturing, CO2 solubility, Vaporliquid equilibrium.

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336 The Influence of Gravity on The Temporal Instability of Viscoelastic Liquid Curved Jets

Authors: Abdullah Madhi Alsharif, Jamal Uddin

Abstract:

A liquid curved jet has many applications in different industrial and engineering processes, such as the prilling process for generating small spherical pellets (fertilizer or magnesium). The liquids used are usually molten and contain small quantities of polymers and therefore can be modelled as non-Newtonian liquids. In this paper, we model the viscoelastic liquid jet by using the Oldroyd- B model. An asymptotic analysis has been used to simplify the governing equations. Furthermore, the trajectory and a linear temporal stability in the presence of gravity and rotation have been determined.

Keywords: gravity, prilling, rotation, viscoelastic jets.

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335 Prediction of Vapor Liquid Equilibrium for Dilute Solutions of Components in Ionic Liquid by Neural Networks

Authors: S. Mousavian, A. Abedianpour, A. Khanmohammadi, S. Hematian, Gh. Eidi Veisi

Abstract:

Ionic liquids are finding a wide range of applications from reaction media to separations and materials processing. In these applications, Vapor–Liquid equilibrium (VLE) is the most important one. VLE for six systems at 353 K and activity coefficients at infinite dilution [(γ)_i^∞] for various solutes (alkanes, alkenes, cycloalkanes, cycloalkenes, aromatics, alcohols, ketones, esters, ethers, and water) in the ionic liquids (1-ethyl-3-methylimidazolium bis (trifluoromethylsulfonyl)imide [EMIM][BTI], 1-hexyl-3-methyl imidazolium bis (trifluoromethylsulfonyl) imide [HMIM][BTI], 1-octyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide [OMIM][BTI], and 1-butyl-1-methylpyrrolidinium bis (trifluoromethylsulfonyl) imide [BMPYR][BTI]) have been used to train neural networks in the temperature range from (303 to 333) K. Densities of the ionic liquids, Hildebrant constant of substances, and temperature were selected as input of neural networks. The networks with different hidden layers were examined. Networks with seven neurons in one hidden layer have minimum error and good agreement with experimental data.

Keywords: Ionic liquid, Neural networks, VLE, Dilute solution.

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334 Electrical Analysis of Corn Oil as an Alternative to Mineral Oil in Power Transformers

Authors: E. Taslak, C. Kocatepe, O. Arıkan, C. F. Kumru

Abstract:

In insulation and cooling of power transformers various liquids are used. Mineral oils have wide availability and low cost. However, they have a poor biodegradability potential and lower fire point in comparison with other insulating liquids. Use of a liquid having high biodegradability is important due to environmental consideration. This paper investigates edible corn oil as an alternative to mineral oil. Various properties of mineral and corn oil like breakdown voltage, dissipation factor, relative dielectric constant, power loss and resistivity were measured according to different standards.

Keywords: Breakdown voltage, corn oil, dissipation factor, mineral oil, power loss, relative dielectric constant, resistivity.

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333 Comparative Dielectric Properties of 1,2-Dichloroethane with n-Methylformamide and n,n-Dimethylformamide Using Time Domain Reflectometry Technique in Microwave Frequency

Authors: Shagufta Tabassum, V. P. Pawar, jr., G. N. Shinde

Abstract:

The study of dielectric relaxation properties of polar liquids in the binary mixture has been carried out at 10, 15, 20 and 25 ºC temperatures for 11 different concentrations using time domain reflectometry technique. The dielectric properties of a solute-solvent mixture of polar liquids in the frequency range of 10 MHz to 30 GHz gives the information regarding formation of monomers and multimers and also an interaction between the molecules of the liquid mixture under study. The dielectric parameters have been obtained by the least squares fit method using the Debye equation characterized by a single relaxation time without relaxation time distribution.

Keywords: Excess properties, relaxation time, static dielectric constant, time domain refelectometry technique.

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332 Spectroscopic Determination of Functionalized Active Principles from Coleus aromaticus Benth Leaf Extract Using Ionic Liquids

Authors: Zharama M. Llarena

Abstract:

Green chemistry for plant extraction of active principles is the main interest of many researchers concerned with climate change. While classical organic solvents are detrimental to our environment, greener alternatives to ionic liquids are very promising for sustainable organic chemistry. This study focused on the determination of functional groups observed in the main constituents from the ionic liquid extracts of Coleus aromaticus Benth leaves using FT-IR Spectroscopy. Moreover, this research aimed to determine the best ionic liquid that can separate functionalized plant constituents from the leaves Coleus aromaticus Benth using Fourier Transform Infrared Spectroscopy. Coleus aromaticus Benth leaf extract in different ionic liquids, elucidated pharmacologically important functional groups present in major constituents of the plant, namely, rosmarinic acid, caffeic acid and chlorogenic acid. In connection to distinctive appearance of functional groups in the spectrum and highest % transmittance, potassium chloride-glycerol is the best ionic liquid for green extraction.

Keywords: Coleus aromaticus, ionic liquid, rosmarinic acid, caffeic acid, chlorogenic acid.

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331 Comparative Kinetic Study on Alkylation of p-cresol with Tert-butyl Alcohol using Different SO3-H Functionalized Ionic Liquid Catalysts

Authors: Pandian Elavarasan, Kishore Kondamudi, Sreedevi Upadhyayula

Abstract:

Ionic liquids are well known as green solvents, reaction media and catalysis. Here, three different sulfonic acid functional ionic liquids prepared in the laboratory are used as catalysts in alkylation of p-cresol with tert-butyl alcohol. The kinetics on each of the catalysts was compared and a kinetic model was developed based on the product distribution over these catalysts. The kinetic parameters were estimated using Marquadt's algorithm to minimize the error function. The Arrhenius plots show a curvature which is best interpreted by the extended Arrhenius equation.

Keywords: Alkylation, p-cresol, tert-butyl alcohol, kinetics, activation parameter, extended Arrhenius equation.

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330 Wetting Behavior of Reactive and Non–Reactive Wetting of Liquids on Metallic Substrates

Authors: Pradeep Bhagawath, K.N. Prabhu, Satyanarayan

Abstract:

Wetting characteristics of reactive (Sn–0.7Cu solder) and non– reactive (castor oil) wetting of liquids on Cu and Ag plated Al substrates have been investigated. Solder spreading exhibited capillary, gravity and viscous regimes. Oils did not exhibit noticeable spreading regimes. Solder alloy showed better wettability on Ag coated Al substrate compared to Cu plating. In the case of castor oil, Cu coated Al substrate exhibited good wettability as compared to Ag coated Al substrates. The difference in wettability during reactive wetting of solder and non–reactive wetting of oils is attributed to the change in the surface energies of Al substrates brought about by the formation of intermetallic compounds (IMCs).

Keywords: Wettability, contact angle, solder, castor oil, IMCs.

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329 Effect of Gravity Modulation on Weakly Non-Linear Stability of Stationary Convection in a Dielectric Liquid

Authors: P. G. Siddheshwar, B. R. Revathi

Abstract:

The effect of time-periodic oscillations of the Rayleigh- Benard system on the heat transport in dielectric liquids is investigated by weakly nonlinear analysis. We focus on stationary convection using the slow time scale and arrive at the real Ginzburg- Landau equation. Classical fourth order Runge-kutta method is used to solve the Ginzburg-Landau equation which gives the amplitude of convection and this helps in quantifying the heat transfer in dielectric liquids in terms of the Nusselt number. The effect of electrical Rayleigh number and the amplitude of modulation on heat transport is studied.

Keywords: Dielectric liquid, Nusselt number, amplitude equation.

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328 Structural Properties of Polar Liquids in Binary Mixture Using Microwave Technique

Authors: Shagufta Tabassum, V. P. Pawar

Abstract:

The study of static dielectric properties in a binary mixture of 1,2 dichloroethane (DE) and n,n dimethylformamide (DMF) polar liquids has been carried out in the frequency range of 10 MHz to 30 GHz for 11 different concentration using time domain reflectometry technique at 10ºC temperature. The dielectric relaxation study of solute-solvent mixture at microwave frequencies gives information regarding the creation of monomers and multimers as well as interaction between the molecules of the binary mixture. The least squares fit method is used to determine the values of dielectric parameters such as static dielectric constant (ε0), dielectric constant at high frequency (ε) and relaxation time (τ).

Keywords: Excess parameters, relaxation time, static dielectric constant, time domain reflectometry.

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327 Sorptive Storage of Natural Gas on Molecular Sieves: Dynamic Investigation

Authors: S. Al-Asheh, K. Al-Emadi

Abstract:

In recent years, there have been attempts to store natural gas in adsorptive form. This is called adsorptive natural gas, or ANG. The problem with this technology is the low sorption capacity. The purpose is to achieve compressed natural gas (CNG) capacity of 230 V/V. Further research is required to achieve such target. Several research studies have been performed with this target; through either the modification or development of new sorbents or the optimization of the operation sorption process itself. In this work, storage of methane on molecular sieves 5A and 13X was studied on dry basis, and on wet basis to certain extent. The temperature and the pressure dynamics were investigated. The results indicated that regardless of the charge pressure, the time for the peak temperature during the methane charge process is always the same. This can be used as a characteristic of the adsorbent. The total achieved deliveries using molecular sieves were much lower than that of activated carbons; 53.0 V/V for the case of 13X molecular sieves and 43 V/V for the case of 5A molecular sieves, both at 2oC and 4 MPa (580 psi). Investigation of charge pressure dynamic using wet molecular sieves at 2oC and a mass ratio of 0.5, revealed slowness of the process and unexpected behavior.

Keywords: Methane, Molecular sieves, Adsorption, Delivery, Storage.

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326 Effect of Plasticizer Additives on the Mechanical Properties of Cement Composite – A Molecular Dynamics Analysis

Authors: R. Mohan, V. Jadhav, A. Ahmed, J. Rivas, A. Kelkar

Abstract:

Cementitious materials are an excellent example of a composite material with complex hierarchical features and random features that range from nanometer (nm) to millimeter (mm) scale. Multi-scale modeling of complex material systems requires starting from fundamental building blocks to capture the scale relevant features through associated computational models. In this paper, molecular dynamics (MD) modeling is employed to predict the effect of plasticizer additive on the mechanical properties of key hydrated cement constituent calcium-silicate-hydrate (CSH) at the molecular, nanometer scale level. Due to complexity, still unknown molecular configuration of CSH, a representative configuration widely accepted in the field of mineral Jennite is employed. The effectiveness of the Molecular Dynamics modeling to understand the predictive influence of material chemistry changes based on molecular / nanoscale models is demonstrated.

Keywords: Cement composite, Mechanical Properties, Molecular Dynamics, Plasticizer additives.

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325 Long-Term On-Chip Storage and Release of Liquid Reagents for Diagnostic Lab-on-a-Chip Applications

Authors: D. Czurratis, Y. Beyl, S. Zinober, R. Zengerle, F. Lärmer

Abstract:

A new concept for long-term reagent storage for Labon- a-Chip (LoC) devices is described. Here we present a polymer multilayer stack with integrated stick packs for long-term storage of several liquid reagents, which are necessary for many diagnostic applications. Stick packs are widely used in packaging industry for storing solids and liquids for long time. The storage concept fulfills two main requirements: First, a long-term storage of reagents in stick packs without significant losses and interaction with surroundings, second, on demand releasing of liquids, which is realized by pushing a membrane against the stick pack through pneumatic pressure. This concept enables long-term on-chip storage of liquid reagents at room temperature and allows an easy implementation in different LoC devices.

Keywords: Lab-on-a-Chip, long-term storage, reagent storage, stick pack.

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324 Dissolution of Solid Particles in Liquids: A Shrinking Core Model

Authors: Wei-Lun Hsu, Mon-Jyh Lin, Jyh-Ping Hsu

Abstract:

The dissolution of spherical particles in liquids is analyzed dynamically. Here, we consider the case the dissolution of solute yields a solute-free solid phase in the outer portion of a particle. As dissolution proceeds, the interface between the undissolved solid phase and the solute-free solid phase moves towards the center of the particle. We assume that there exist two resistances for the diffusion of solute molecules: the resistance due to the solute-free portion of the particle and that due to a surface layer near solid-liquid interface. In general, the equation governing the dynamic behavior of dissolution needs to be solved numerically. However, analytical expressions for the temporal variation of the size of the undissoved portion of a particle and the variation of dissolution time can be obtained in some special cases. The present analysis takes the effect of variable bulk solute concentration on dissolution into account.

Keywords: dissolution of particles, surface layer, shrinking core model, dissolution time.

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323 All Proteins Have a Basic Molecular Formula

Authors: Homa Torabizadeh

Abstract:

This study proposes a basic molecular formula for all proteins. A total of 10,739 proteins belonging to 9 different protein groups classified on the basis of their functions were selected randomly. They included enzymes, storage proteins, hormones, signalling proteins, structural proteins, transport proteins, immunoglobulins or antibodies, motor proteins and receptor proteins. After obtaining the protein molecular formula using the ProtParam tool, the H/C, N/C, O/C, and S/C ratios were determined for each randomly selected sample. In this case, H, N, O, and S coefficients were specified per carbon atom. Surprisingly, the results demonstrated that H, N, O, and S coefficients for all 10,739 proteins are similar and highly correlated. This study demonstrates that despite differences in the structure and function, all known proteins have a similar basic molecular formula CnH1.58 ± 0.015nN0.28 ± 0.005nO0.30 ± 0.007nS0.01 ± 0.002n. The total correlation between all coefficients was found to be 0.9999.

Keywords: Protein molecular formula, Basic unit formula, Protparam tool.

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