Ab Initio Molecular Dynamics Simulations of Furfural at the Liquid-Solid Interface

The bonding configuration and the heat of adsorption of a furfural molecule on the Pd(111) surface were determined by ab initio density-functional-theory calculations. The dynamics of pure liquid water, the liquid-solid interface formed by liquid water and the Pd(111) surface, as well as furfural at the water-Pd interface, were investigated by ab initio molecular dynamics simulations at finite temperatures. Calculations and simulations suggest that the bonding configurations at the water-Pd interface promote decarbonylation of furfural.

DCBOR: A Density Clustering Based on Outlier Removal

Data clustering is an important data exploration technique with many applications in data mining. We present an enhanced version of the well known single link clustering algorithm. We will refer to this algorithm as DCBOR. The proposed algorithm alleviates the chain effect by removing the outliers from the given dataset. So this algorithm provides outlier detection and data clustering simultaneously. This algorithm does not need to update the distance matrix, since the algorithm depends on merging the most k-nearest objects in one step and the cluster continues grow as long as possible under specified condition. So the algorithm consists of two phases; at the first phase, it removes the outliers from the input dataset. At the second phase, it performs the clustering process. This algorithm discovers clusters of different shapes, sizes, densities and requires only one input parameter; this parameter represents a threshold for outlier points. The value of the input parameter is ranging from 0 to 1. The algorithm supports the user in determining an appropriate value for it. We have tested this algorithm on different datasets contain outlier and connecting clusters by chain of density points, and the algorithm discovers the correct clusters. The results of our experiments demonstrate the effectiveness and the efficiency of DCBOR.

Integrating Fast Karnough Map and Modular Neural Networks for Simplification and Realization of Complex Boolean Functions

In this paper a new fast simplification method is presented. Such method realizes Karnough map with large number of variables. In order to accelerate the operation of the proposed method, a new approach for fast detection of group of ones is presented. Such approach implemented in the frequency domain. The search operation relies on performing cross correlation in the frequency domain rather than time one. It is proved mathematically and practically that the number of computation steps required for the presented method is less than that needed by conventional cross correlation. Simulation results using MATLAB confirm the theoretical computations. Furthermore, a powerful solution for realization of complex functions is given. The simplified functions are implemented by using a new desigen for neural networks. Neural networks are used because they are fault tolerance and as a result they can recognize signals even with noise or distortion. This is very useful for logic functions used in data and computer communications. Moreover, the implemented functions are realized with minimum amount of components. This is done by using modular neural nets (MNNs) that divide the input space into several homogenous regions. Such approach is applied to implement XOR function, 16 logic functions on one bit level, and 2-bit digital multiplier. Compared to previous non- modular designs, a clear reduction in the order of computations and hardware requirements is achieved.

Adsorption of Crystal Violet onto BTEA- and CTMA-bentonite from Aqueous Solutions

CTMA-bentonite and BTEA-Bentonite prepared by Na-bentonite cation exchanged with cetyltrimethylammonium(CTMA) and benzyltriethylammonium (BTEA). Products were characterized by XRD and IR techniques.The d001 spacing value of CTMA-bentonite and BTEA-bentonite are 7.54Å and 3.50Å larger than that of Na-bentonite at 100% cation exchange capacity, respectively. The IR spectrum showed that the intensities of OH stretching and bending vibrations of the two organoclays decreased greatly comparing to untreated Na-bentonite. Batch experiments were carried out at 303 K, 318 K and 333 K to obtain the sorption isotherms of Crystal violet onto the two organoclays. The results show that the sorption isothermal data could be well described by Freundlich model. The dynamical data for the two organoclays fit well with pseudo-second-order kinetic model. The adsorption capacity of CTMA-bentonite was found higher than that of BTEA-Bentonite. Thermodynamic parameters such as changes in the free energy (ΔG°), the enthalpy (ΔH°) and the entropy (ΔS°) were also evaluated. The overall adsorption process of Crystal violet onto the two organoclays were spontaneous, endothermic physisorption. The CTMA-bentonite and BTEA-Bentonite could be employed as low-cost alternatives to activated carbon in wastewater treatment for the removal of color which comes from textile dyes.

Surface Roughness Optimization in End Milling Operation with Damper Inserted End Milling Cutters

This paper presents a study of the Taguchi design application to optimize surface quality in damper inserted end milling operation. Maintaining good surface quality usually involves additional manufacturing cost or loss of productivity. The Taguchi design is an efficient and effective experimental method in which a response variable can be optimized, given various factors, using fewer resources than a factorial design. This Study included spindle speed, feed rate, and depth of cut as control factors, usage of different tools in the same specification, which introduced tool condition and dimensional variability. An orthogonal array of L9(3^4)was used; ANOVA analyses were carried out to identify the significant factors affecting surface roughness, and the optimal cutting combination was determined by seeking the best surface roughness (response) and signal-to-noise ratio. Finally, confirmation tests verified that the Taguchi design was successful in optimizing milling parameters for surface roughness.

Demythologization of Female Smokers in Korean Films

Compare to western cultures, women who smoke in Korea are not tolerated. Korean people are prejudiced against women smoking. In spite of the relative prevalence of sexual equality in South Korea, women too often feel obliged to confine their smoking to only a few public spaces, such as designated smoking rooms, coffee shops or pubs. Korean Confucianism classifies people according to gender and social status. According to Confucian culture, cigarettes convey clear social meanings as well as reinforcing status, age and gender, beyond personal preferences. For these reasons, the significant of people smoking in Korea varies according to their gender. This study will determine reasons for the ongoing sexual discrimination against female Korean smokers thorough analyzing Korean films. Since film is a medium reflects social phenomenon. Roland Barthes- Mythology Theory will be used to analyze films.

The Effect of Different Nozzle Configurations on Airflow Behaviour and Yarn Quality

Nozzle is the main part of various spinning systems such as air-jet and Murata air vortex systems. Recently, many researchers worked on the usage of the nozzle on different spinning systems such as conventional ring and compact spinning systems. In these applications, primary purpose is to improve the yarn quality. In present study, it was produced the yarns with two different nozzle types and determined the changes in yarn properties. In order to explain the effect of the nozzle, airflow structure in the nozzle was modelled and airflow variables were determined. In numerical simulation, ANSYS 12.1 package program and Fluid Flow (CFX) analysis method was used. As distinct from the literature, Shear Stress Turbulent (SST) model is preferred. And also air pressure at the nozzle inlet was measured by electronic mass flow meter and these values were used for the simulation of the airflow. At last, the yarn was modelled and the area from where the yarn is passing was included to the numerical analysis.

All Proteins Have a Basic Molecular Formula

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.

Mutational Analysis of CTLA4 Gene in Pakistani SLE Patients

The main aim is to perform mutational analysis of CTLA4 gene Exon 1 in SLE patients. A total of 61 SLE patients fulfilling “American College of Rheumatology (ACR) criteria" and 61 controls were enrolled in this study. The region of CTLA4 gene exon 1 was amplified by using Step-down PCR technique. Extracted DNA of band 354 bp was sequenced to analyze mutations in the exon-1 of CTLA-4 gene. Further, protein sequences were identified from nucleotide sequences of CTLA4 Exon 1 by using Expasy software and through Blast P software it was found that CTLA4 protein sequences of Pakistani SLE patients were similar to that of Chinese SLE population. No variations were found after patients sequences were compared with that of the control sequence. Furthermore it was found that CTLA4 protein sequences of Pakistani SLE patients were similar to that of Chinese SLE population. Thus CTLA4 gene may not be responsible for an autoimmune disease SLE.

Thermo-Sensitive Hydrogel: Control of Hydrophilic-Hydrophobic Transition

The study investigated the hydrophilic to hydrophobic transition of modified polyacrylamide hydrogel with the inclusion of N-isopropylacrylamide (NIAM). The modification was done by mimicking micellar polymerization, which resulted in better arrangement of NIAM chains in the polyacrylamide network. The degree of NIAM arrangement is described by NH number. The hydrophilic to hydrophobic transition was measured through the partition coefficient, K, of Orange II and Methylene Blue in hydrogel and in water. These dyes were chosen as a model for solutes with different degree of hydrophobicity. The study showed that the hydrogel with higher NH values resulted in better solubility of both dyes. Moreover, in temperature above the lower critical solution temperature (LCST) of Poly(N-isopropylacrylamide) (PNIAM)also caused the collapse of NIPAM chains which results in a more hydrophobic environment that increases the solubility of Methylene Blue and decreases the solubility of Orange II in the hydrogels with NIPAM present.

Efficient Use of Energy through Incorporation of a Gas Turbine in Methanol Plant

A techno-economic evaluation for efficient use of energy in a large scale industrial plant of methanol is carried out. This assessment is based on integration of a gas turbine with an existing plant of methanol in which the outlet gas products of exothermic reactor is expanded to power generation. Also, it is decided that methanol production rate is constant through addition of power generation system to the existing methanol plant. Having incorporated a gas turbine with the existing plant, the economic results showed total investment of MUSD 16.9, energy saving of 3.6 MUSD/yr with payback period of approximately 4.7 years.

Surfactant Stabilized Nanoemulsion: Characterization and Application in Enhanced Oil Recovery

Nanoemulsions are a class of emulsions with a droplet size in the range of 50–500 nm and have attracted a great deal of attention in recent years because it is unique characteristics. The physicochemical properties of nanoemulsion suggests that it can be successfully used to recover the residual oil which is trapped in the fine pore of reservoir rock by capillary forces after primary and secondary recovery. Oil-in-water nanoemulsion which can be formed by high-energy emulsification techniques using specific surfactants can reduce oil-water interfacial tension (IFT) by 3-4 orders of magnitude. The present work is aimed on characterization of oil-inwater nanoemulsion in terms of its phase behavior, morphological studies; interfacial energy; ability to reduce the interfacial tension and understanding the mechanisms of mobilization and displacement of entrapped oil blobs by lowering interfacial tension both at the macroscopic and microscopic level. In order to investigate the efficiency of oil-water nanoemulsion in enhanced oil recovery (EOR), experiments were performed to characterize the emulsion in terms of their physicochemical properties and size distribution of the dispersed oil droplet in water phase. Synthetic mineral oil and a series of surfactants were used to prepare oil-in-water emulsions. Characterization of emulsion shows that it follows pseudo-plastic behaviour and drop size of dispersed oil phase follows lognormal distribution. Flooding experiments were also carried out in a sandpack system to evaluate the effectiveness of the nanoemulsion as displacing fluid for enhanced oil recovery. Substantial additional recoveries (more than 25% of original oil in place) over conventional water flooding were obtained in the present investigation.

Modes of Collapse of Compress–Expand Member under Axial Loading

In this paper, a study on the modes of collapse of compress- expand members are presented. Compress- expand member is a compact, multiple-combined cylinders, to be proposed as energy absorbers. Previous studies on the compress- expand member have clarified its energy absorption efficiency, proposed an approximate equation to describe its deformation characteristics and also highlighted the improvement that it has brought. However, for the member to be practical, the actual range of geometrical dimension that it can maintain its applicability must be investigated. In this study, using a virtualized materials that comply the bilinear hardening law, Finite element Method (FEM) analysis on the collapse modes of compress- expand member have been conducted. Deformation maps that plotted the member's collapse modes with regards to the member's geometric and material parameters were then presented in order to determine the dimensional range of each collapse modes.

Viscous Potential Flow Analysis of Electrohydrodynamic Capillary Instability through Porous Media

The effect of porous medium on the capillary instability of a cylindrical interface in the presence of axial electric field has been investigated using viscous potential flow theory. In viscous potential flow, the viscous term in Navier-Stokes equation vanishes as vorticity is zero but viscosity is not zero. Viscosity enters through normal stress balance in the viscous potential flow theory and tangential stresses are not considered. A dispersion relation that accounts for the growth of axisymmetric waves is derived and stability is discussed theoretically as well as numerically. Stability criterion is given by critical value of applied electric field as well as critical wave number. Various graphs have been drawn to show the effect of various physical parameters such as electric field, viscosity ratio, permittivity ratio on the stability of the system. It has been observed that the axial electric field and porous medium both have stabilizing effect on the stability of the system.

Physico-chemical State of the Air at the Stagnation Point during the Atmospheric Reentry of a Spacecraft

Hypersonic flows around spatial vehicles during their reentry phase in planetary atmospheres are characterized by intense aerothermal phenomena. The aim of this work is to analyze high temperature flows around an axisymmetric blunt body taking into account chemical and vibrational non-equilibrium for air mixture species. For this purpose, a finite volume methodology is employed to determine the supersonic flow parameters around the axisymmetric blunt body, especially at the stagnation point and along the wall of spacecraft for several altitudes. This allows the capture shock wave before a blunt body placed in supersonic free stream. The numerical technique uses the Flux Vector Splitting method of Van Leer. Here, adequate time stepping parameter, along with CFL coefficient and mesh size level are selected to ensure numerical convergence, sought with an order of 10-8

The Analysis of Duct Model Through Structural and Dynamic Schemes

This paper presents the analysis of duct design using static and dynamic approaches. The static approach is used to find out applicability between the design and material applied. The material used in this paper is Thermoplastic Olefins (TPO). For the dynamic approach, the focusing is only on the CFD simulations. The fatigue life in this design and material applied also covered.

On the Multiplicity of Discriminants of Relative Quadratic Extensions of Quintic Fields

According to Hermite there exists only a finite number of number fields having a given degree, and a given value of the discriminant, nevertheless this number is not known generally. The determination of a maximum number of number fields of degree 10 having a given discriminant that contain a subfield of degree 5 having a fixed class number, narrow class number and Galois group is the purpose of this work. The constructed lists of the first coincidences of 52 (resp. 50, 40, 48, 22, 6) nonisomorphic number fields with same discriminant of degree 10 of signature (6,2) (resp. (4,3), (8,1), (2,4), (0,5), (10,0)) containing a quintic field. For each field in the lists, we indicate its discriminant, the discriminant of its subfield, a relative polynomial generating the field over its quintic field and its relative discriminant, the corresponding polynomial over Q and its Galois closure are presented with concluding remarks.

Biometrical Comparison of Artemia urmiana Günther, 1899 (Crustacea: Anostraca) Cysts between Rainy and Drought Years (1994-2003/4) from Urmia Lake, Iran

Nowadays, biometrical characterizations of Artemia cysts are used as one of the most important factors in the study of Artemia populations and intraspecific particularity; meanwhile these characters can be used as economical indices. For example, typically high hatching efficiency is possible due to the small diameter of cysts (high number per gram); therefore small diameter of cysts show someway high quality of cysts. This study was performed during a ten year period, including two different ecological conditions: rainy and drought. It is important from two different aspects because it covers alteration of A. urmiana during ten years also its variation in the best and worst environmental situations in which salinity increased from 173.8 ppt in 1994 to 280.8 ppt in 2003/4. In this study the biometrical raw data of Artemia urmiana cysts at seven stations from the Urmia Lake in 1994 and their seven identical locations at 26 studied stations in 2003/4 were reanalyzed again and compared together. Biometrical comparison of untreated and decapsulated cysts in each of the seven similar stations showed a highly significant variation between 1994 and 2003/4. Based on this study, in whole stations the untreated and decapsulated cysts from 1994 were larger than cysts of 2003/4 without any exception. But there was no logical relationship between salinity and chorion thickness in the Urmia Lake. With regard to PCA analyses the stations of two different studied years certainly have been separated with factor 1 from each other. In conclusion, the interaction between genetic and environmental factors can determine and explain variation in the range of cysts diameter in Artemia.

Temporary Housing Respond to Disasters in Developing Countries- Case Study: Iran-Ardabil and Lorestan Province Earthquakes

Natural Disasters have always occurred through earth life. As human life developed on earth, he faced with different disasters. Since disasters would destroy his living areas and ruin his life, he learned how to respond and overcome to these matters. Nowadays, in the era of industrialized world and informatics, the man kind seeks for stages and classification of pre and post disaster process in order to identify a framework in these circumstances. Because too many parameters complicate these frameworks and proceedings, it seems that this goal has not been properly established yet and the only resource is guidelines of UNDRO (1982) [1]. This paper will discuss about temporary housing as one of an approved stage in disaster management field and investigate the affects of disapproval or dismissal of this at two earthquakes which took place in Iran.

Preventive Measures after Needle-Stick Injuries and Association with Health Locus of Control Beliefs in Medical Students

The purpose of this research was to demonstrate prevalence of post-exposure preventive measures (PEP) after needlestick injuries and its relationship with locus of control beliefs in a sample of medical students. In this cross-sectional study, 300 medical students with history of having experienced needle stick injuries (NSI) for at least once filled in a questionnaire to determine if they perceived themselves to be responsible and effective in preventing blood born infections after NSI. About 38% of students did not seek any professional consult or PEP after NSI due to lack of enough time or access, anxiety about tests results, belief in uselessness of followup and not being able to change destiny. These 114 students were not different from others regarding their scores on NSI specific scale of locus of health control. Thus, the potentiality of NSI locus of control beliefs in predicting PEP was not seen in this study.