Search results for: enhanced ideal gas molecular movement (EIGMM)
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 7274

Search results for: enhanced ideal gas molecular movement (EIGMM)

6914 Optical Properties of Tetrahydrofuran Clathrate Hydrates at Terahertz Frequencies

Authors: Hyery Kang, Dong-Yeun Koh, Yun-Ho Ahn, Huen Lee

Abstract:

Terahertz time-domain spectroscopy (THz-TDS) was used to observe the THF clathrate hydrate system with dosage of polyvinylpyrrolidone (PVP) with three different average molecular weights (10,000 g/mol, 40,000 g/mol, 360,000 g/mol). Distinct footprints of phase transition in the THz region (0.4 - 2.2 THz) were analyzed and absorption coefficients and complex refractive indices are obtained and compared in the temperature range of 253 K to 288 K. Along with the optical properties, ring breathing and stretching modes for different molecular weights of PVP in THF hydrate are analyzed by Raman spectroscopy.

Keywords: clathrate hydrate, terahertz, polyvinylpyrrolidone (PVP), THz-TDS, inhibitor

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6913 Biaxial Buckling of Single Layer Graphene Sheet Based on Nonlocal Plate Model and Molecular Dynamics Simulation

Authors: R. Pilafkan, M. Kaffash Irzarahimi, S. F. Asbaghian Namin

Abstract:

The biaxial buckling behavior of single-layered graphene sheets (SLGSs) is studied in the present work. To consider the size-effects in the analysis, Eringen’s nonlocal elasticity equations are incorporated into classical plate theory (CLPT). A Generalized Differential Quadrature Method (GDQM) approach is utilized and numerical solutions for the critical buckling loads are obtained. Then, molecular dynamics (MD) simulations are performed for a series of zigzag SLGSs with different side-lengths and with various boundary conditions, the results of which are matched with those obtained by the nonlocal plate model to numerical the appropriate values of nonlocal parameter relevant to each type of boundary conditions.

Keywords: biaxial buckling, single-layered graphene sheets, nonlocal elasticity, molecular dynamics simulation, classical plate theory

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6912 Crack Width Analysis of Reinforced Concrete Members under Shrinkage Effect by Pseudo-Discrete Crack Model

Authors: F. J. Ma, A. K. H. Kwan

Abstract:

Crack caused by shrinkage movement of concrete is a serious problem especially when restraint is provided. It may cause severe serviceability and durability problems. The existing prediction methods for crack width of concrete due to shrinkage movement are mainly numerical methods under simplified circumstances, which do not agree with each other. To get a more unified prediction method applicable to more sophisticated circumstances, finite element crack width analysis for shrinkage effect should be developed. However, no existing finite element analysis can be carried out to predict the crack width of concrete due to shrinkage movement because of unsolved reasons of conventional finite element analysis. In this paper, crack width analysis implemented by finite element analysis is presented with pseudo-discrete crack model, which combines traditional smeared crack model and newly proposed crack queuing algorithm. The proposed pseudo-discrete crack model is capable of simulating separate and single crack without adopting discrete crack element. And the improved finite element analysis can successfully simulate the stress redistribution when concrete is cracked, which is crucial for predicting crack width, crack spacing and crack number.

Keywords: crack queuing algorithm, crack width analysis, finite element analysis, shrinkage effect

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6911 Simple Rheological Method to Estimate the Branch Structures of Polyethylene under Reactive Modification

Authors: Mahdi Golriz

Abstract:

The aim of this work is to estimate the change in molecular structure of linear low-density polyethylene (LLDPE) during peroxide modification can be detected by a simple rheological method. For this purpose a commercial grade LLDPE (Exxon MobileTM LL4004EL) was reacted with different doses of dicumyl peroxide (DCP). The samples were analyzed by size-exclusion chromatography coupled with a light scattering detector. The dynamic shear oscillatory measurements showed a deviation of the δ-׀G ׀٭curve from that of the linear LLDPE, which can be attributed to the presence of long-chain branching (LCB). By the use of a simple rheological method that utilizes melt rheology, transformations in molecular architecture induced on an originally linear low density polyethylene during the early stages of reactive modification were indicated. Reasonable and consistent estimates are obtained, concerning the degree of LCB, the volume fraction of the various molecular species produced in peroxide modification of LLDPE.

Keywords: linear low-density polyethylene, peroxide modification, long-chain branching, rheological method

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6910 Computational Studies of the Reactivity Descriptors and the Optoelectronic Properties on the Efficiency Free-Base- and Zn-Porphyrin-Sensitized Solar Cells

Authors: Soraya Abtouche, Zeyneb Ghoualem, Syrine Daoudi, Lina Ouldmohamed, Xavier Assfeld

Abstract:

This work reports density functional theory calculations of the optimized geometries, molecular reactivity, energy gap,and thermodynamic properties of the free base (H2P) and their Zn (II) metallated (ZnP), bearing one, two, or three carboxylic acid groups using the hybrid functional B3LYP, Cam-B3lYP, wb97xd with 6-31G(d,p) basis sets. When donating groups are attached to the molecular dye, the bond lengths are slightly decreased, which is important for the easy transfer of an electron from donating to the accepting group. For all dyes, the highest occupied molecular orbital/lowest occupied molecular orbital analysis results in positive outcomes upon electron injection to the semiconductor and subsequent dye regeneration by the electrolyte. The ionization potential increases with increasing conjugation; therefore, the compound dye attached to one carboxylic acid group has the highest ionization potential. The results show higher efficiencies of those sensitized with ZnP. These results have been explained, taking into account the electronic character of the metal ion, which acts as a mediator in the injection step, and, on the other hand, considering the number of anchoring groups to which it binds to the surface of TiO2.

Keywords: DSSC, porphyrin, TD-DFT, electronic properties, donor-acceptor groups

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6909 Towards a Re-theatricalized Drama: Yu Shangyuan’s Translation of J. M. Barrie’s The Admirable Crichton

Authors: Li Jiawei

Abstract:

In the mid-1920s, Chinese dramatist Yu Shangyuan rallied a group of intellectuals and launched the National Theatre Movement to champion the incorporation of Chinese operatic resources into modern spoken drama. In 1927, the fluctuating milieu impelled Yu and most of his comrades to leave Beijing, rendering the movement a truncated undertaking. Offering to illuminate the influence or reverberation of the movement, this research examines Yu’s translation of J. M. Barrie’ s The Admirable Crichton, the first play Yu published upon returning to Beijing in 1929. It unveils that Yu still espoused the value of Chinese opera on modern stage, but his perception of drama was more instructive and rooted in theatre’s fundamental traditions, customs, and mechanics. Influenced by Sheldon Cheney’s theatrical idea, Yu aligned Western realistic drama with “psychologic drama” and Chinese opera with “aesthetic drama” and argued for a “re-theatricalized drama” that could “present psychologic drama aesthetically.” With such a perception, Yu chose to translate a psychologic drama and strove to imbue the play with an aesthetic spirit by inserting symbolic stage designs and employing poetic language. The exploration of Yu’s translation of The Admirable Crichton sheds light on the new insights that translation studies might bring to theatre historiography.

Keywords: Yu Shangyuan, translation, drama, modern China

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6908 Numerical Analysis of the Melting of Nano-Enhanced Phase Change Material in a Rectangular Latent Heat Storage Unit

Authors: Radouane Elbahjaoui, Hamid El Qarnia

Abstract:

Melting of Paraffin Wax (P116) dispersed with Al2O3 nanoparticles in a rectangular latent heat storage unit (LHSU) is numerically investigated. The storage unit consists of a number of vertical and identical plates of nano-enhanced phase change material (NEPCM) separated by rectangular channels in which heat transfer fluid flows (HTF: Water). A two dimensional mathematical model is considered to investigate numerically the heat and flow characteristics of the LHSU. The melting problem was formulated using the enthalpy porosity method. The finite volume approach was used for solving equations. The effects of nanoparticles’ volumetric fraction and the Reynolds number on the thermal performance of the storage unit were investigated.

Keywords: nano-enhanced phase change material (NEPCM), phase change material (PCM), nanoparticles, latent heat storage unit (LHSU), melting.

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6907 Placement Characteristics of Major Stream Vehicular Traffic at Median Openings

Authors: Tathagatha Khan, Smruti Sourava Mohapatra

Abstract:

Median openings are provided in raised median of multilane roads to facilitate U-turn movement. The U-turn movement is a highly complex and risky maneuver because U-turning vehicle (minor stream) makes 180° turns at median openings and merge with the approaching through traffic (major stream). A U-turning vehicle requires a suitable gap in the major stream to merge, and during this process, the possibility of merging conflict develops. Therefore, these median openings are potential hot spot of conflict and posses concern pertaining to safety. The traffic at the median openings could be managed efficiently with enhanced safety when the capacity of a traffic facility has been estimated correctly. The capacity of U-turns at median openings is estimated by Harder’s formula, which requires three basic parameters namely critical gap, follow up time and conflict flow rate. The estimation of conflicting flow rate under mixed traffic condition is very much complicated due to absence of lane discipline and discourteous behavior of the drivers. The understanding of placement of major stream vehicles at median opening is very much important for the estimation of conflicting traffic faced by U-turning movement. The placement data of major stream vehicles at different section in 4-lane and 6-lane divided multilane roads were collected. All the test sections were free from the effect of intersection, bus stop, parked vehicles, curvature, pedestrian movements or any other side friction. For the purpose of analysis, all the vehicles were divided into 6 categories such as motorized 2W, autorickshaw (3-W), small car, big car, light commercial vehicle, and heavy vehicle. For the collection of placement data of major stream vehicles, the entire road width was divided into sections of 25 cm each and these were numbered seriatim from the pavement edge (curbside) to the end of the road. The placement major stream vehicle crossing the reference line was recorded by video graphic technique on various weekdays. The collected data for individual category of vehicles at all the test sections were converted into a frequency table with a class interval of 25 cm each and the placement frequency curve. Separate distribution fittings were tried for 4- lane and 6-lane divided roads. The variation of major stream traffic volume on the placement characteristics of major stream vehicles has also been explored. The findings of this study will be helpful to determine the conflict volume at the median openings. So, the present work holds significance in traffic planning, operation and design to alleviate the bottleneck, prospect of collision and delay at median opening in general and at median opening in developing countries in particular.

Keywords: median opening, U-turn, conflicting traffic, placement, mixed traffic

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6906 Computational Approach to Cyclin-Dependent Kinase 2 Inhibitors Design and Analysis: Merging Quantitative Structure-Activity Relationship, Absorption, Distribution, Metabolism, Excretion, and Toxicity, Molecular Docking, and Molecular Dynamics Simulations

Authors: Mohamed Moussaoui, Mouna Baassi, Soukayna Baammi, Hatim Soufi, Mohammed Salah, Rachid Daoud, Achraf EL Allali, Mohammed Elalaoui Belghiti, Said Belaaouad

Abstract:

The present study aims to investigate the quantitative structure-activity relationship (QSAR) of a series of Thiazole derivatives reported as anticancer agents (hepatocellular carcinoma), using principally the electronic descriptors calculated by the density functional theory (DFT) method and by applying the multiple linear regression method. The developed model showed good statistical parameters (R²= 0.725, R²ₐ𝒹ⱼ= 0.653, MSE = 0.060, R²ₜₑₛₜ= 0.827, Q²𝒸ᵥ = 0.536). The energy of the highest occupied molecular orbital (EHOMO) orbital, electronic energy (TE), shape coefficient (I), number of rotatable bonds (NROT), and index of refraction (n) were revealed to be the main descriptors influencing the anti-cancer activity. Additional Thiazole derivatives were then designed and their activities and pharmacokinetic properties were predicted using the validated QSAR model. These designed molecules underwent evaluation through molecular docking (MD) and molecular dynamic (MD) simulations, with binding affinity calculated using the MMPBSA script according to a 100 ns simulation trajectory. This process aimed to study both their affinity and stability towards Cyclin-Dependent Kinase 2 (CDK2), a target protein for cancer disease treatment. The research concluded by identifying four CDK2 inhibitors - A1, A3, A5, and A6 - displaying satisfactory pharmacokinetic properties. MDs results indicated that the designed compound A5 remained stable in the active center of the CDK2 protein, suggesting its potential as an effective inhibitor for the treatment of hepatocellular carcinoma. The findings of this study could contribute significantly to the development of effective CDK2 inhibitors.

Keywords: QSAR, ADMET, Thiazole, anticancer, molecular docking, molecular dynamic simulations, MMPBSA calculation

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6905 Load Comparison between Different Positions during Elite Male Basketball Games: A Sport Metabolomics Approach

Authors: Kayvan Khoramipour, Abbas Ali Gaeini, Elham Shirzad, Øyvind Sandbakk

Abstract:

Basketball has different positions with individual movement profiles, which may influence metabolic demands. Accordingly, the present study aimed to compare the movement and metabolic load between different positions during elite male basketball games. Five main players of 14 teams (n = 70), who participated in the 2017-18 Iranian national basketball leagues, were selected as participants. The players were defined as backcourt (Posts 1-3) and frontcourt (Posts 4-5). Video based time motion analysis (VBTMA) was performed based on players’ individual running and shuffling speed using Dartfish software. Movements were classified into high and low intensity running with and without having the ball, as well as high and low-intensity shuffling and static movements. Mean frequency, duration, and distance were calculated for each class, except for static movements where only frequency was calculated. Saliva samples were collected from each player before and after 40-minute basketball games and analyzed using metabolomics. Principal component analysis (PCA) and Partial least square discriminant analysis (PLSDA) (for metabolomics data) and independent T-tests (for VBTMA) were used as statistical tests. Movement frequency, duration, and distance were higher in backcourt players (all p ≤ 0.05), while static movement frequency did not differ. Saliva samples showed that the levels of Taurine, Succinic acid, Citric acid, Pyruvate, Glycerol, Acetoacetic acid, Acetone, and Hypoxanthine were all higher in backcourt players, whereas Lactate, Alanine, 3-Metyl Histidine, and Methionine were higher in frontcourt players Based on metabolomics, we demonstrate that backcourt and frontcourt players have different metabolic profiles during games, where backcourt players move clearly more during games and therefore rely more on aerobic energy, whereas frontcourt players rely more on anaerobic energy systems in line with less dynamic but more static movement patterns.

Keywords: basketball, metabolomics, saliva, sport loadomics

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6904 Dynamic Modeling of the Green Building Movement in the U.S.: Strategies to Reduce Carbon Footprint of Residential Building Stock

Authors: Nuri Onat, Omer Tatari, Gokhan Egilmez

Abstract:

The U.S. buildings consume significant amount of energy and natural resources and they are responsible for approximately 40 % of the greenhouse gases emitted in the United States. Awareness of these environmental impacts paved the way for the adoption of green building movement. The green building movement is a rapidly increasing trend. Green Construction market has generated $173 billion dollars in GDP, supported over 2.4 million jobs, and provided $123 billion dollars in labor earnings. The number of LEED certified buildings is projected to be almost half of the all new, nonresidential buildings by 2015. National Science and Technology Council (NSTC) aims to increase number of net-zero energy buildings (NZB). The ultimate goal is to have all commercial NZB by 2050 in the US (NSTC 2008). Green Building Initiative (GBI) became the first green building organization that is accredited by American National Standards Institute (ANSI), which will also boost number of green buildings certified by Green Globes. However, there is much less focus on greening the residential buildings, although the environmental impacts of existing residential buildings are more than that of commercial buildings. In this regard, current research aims to model the residential green building movement with a dynamic model approach and assess the possible strategies to stabilize the carbon footprint of the U.S. residential building stock. Three aspects of sustainable development are considered in policy making, namely: high performance green building (HPGB) construction, NZB construction and building retrofitting. 19 different policy options are proposed and analyzed. Results of this study explored that increasing the construction rate of HPGBs or NZBs is not a sufficient policy to stabilize the carbon footprint of the residential buildings. Energy efficient building retrofitting options are found to be more effective strategies then increasing HPGBs and NZBs construction. Also, significance of shifting to renewable energy sources for electricity generation is stressed.

Keywords: green building movement, residential buildings, carbon footprint, system dynamics

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6903 The Contribution of Translation to Arabic and Islamic Civilization during the Golden Age (661–1258)

Authors: Smail Hadj Mahammed

Abstract:

Translation is not merely a process of conveying the meaning from one particular language into another to overcome language barriers and ensure a good understanding; it is also a work of civilization and progress. Without the translation of Greek, Indian and Persian works, Arabic and Islamic Civilization would not have taken off, and without the translations of Arabic works into Latin, and then into European languages, the scientific and technological revolution of the modern world would not have taken place. In this context, the present paper seeks to investigate how the translation movement contributed to the Arabic and Islamic Civilizations during the Golden Age. The research paper consists of three major parts: the first part provides a brief historical overview of the translation movement during the golden age, which witnessed two important eras: the Umayyad and Abbasid eras. The second part shows the main reasons why translation was a prominent cultural activity during the Golden Age and why it gained great interest from the Arabs. The last part highlights the constructive contribution of translation to the Arabic and Islamic Civilization during the period (661–1258). The results demonstrate that Arabic translation movement was unprecedented in the transmission of knowledge in the whole history of humankind and that translation during the Golden Age had significantly assisted in enriching the Arabic and Islamic civilizations, which had absorbed major and important scientific works of old Greek, Indian and Persian civilizations.

Keywords: Arabic and Islamic civilization, contribution, golden age, translation

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6902 Measuring the Effectiveness of Response Inhibition regarding to Motor Complexity: Evidence from the Stroop Effect

Authors: Germán Gálvez-García, Marta Lavin, Javiera Peña, Javier Albayay, Claudio Bascour, Jesus Fernandez-Gomez, Alicia Pérez-Gálvez

Abstract:

We studied the effectiveness of response inhibition in movements with different degrees of motor complexity when they were executed in isolation and alternately. Sixteen participants performed the Stroop task which was used as a measure of response inhibition. Participants responded by lifting the index finger and reaching the screen with the same finger. Both actions were performed separately and alternately in different experimental blocks. Repeated measures ANOVAs were used to compare reaction time, movement time, kinematic errors and Movement errors across conditions (experimental block, movement, and congruency). Delta plots were constructed to perform distributional analyses of response inhibition and accuracy rate. The effectiveness of response inhibition did not show difference when the movements were performed in separated blocks. Nevertheless, it showed differences when they were performed alternately in the same experimental block, being more effective for the lifting action. This could be due to a competition of the available resources during a more complex scenario which also demands to adopt some strategy to avoid errors.

Keywords: response inhibition, motor complexity, Stroop task, delta plots

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6901 Key Performance Indicators and the Model for Achieving Digital Inclusion for Smart Cities

Authors: Khalid Obaed Mahmod, Mesut Cevik

Abstract:

The term smart city has appeared recently and was accompanied by many definitions and concepts, but as a simplified and clear definition, it can be said that the smart city is a geographical location that has gained efficiency and flexibility in providing public services to citizens through its use of technological and communication technologies, and this is what distinguishes it from other cities. Smart cities connect the various components of the city through the main and sub-networks in addition to a set of applications and thus be able to collect data that is the basis for providing technological solutions to manage resources and provide services. The basis of the work of the smart city is the use of artificial intelligence and the technology of the Internet of Things. The work presents the concept of smart cities, the pillars, standards, and evaluation indicators on which smart cities depend, and the reasons that prompted the world to move towards its establishment. It also provides a simplified hypothetical way to measure the ideal smart city model by defining some indicators and key pillars, simulating them with logic circuits, and testing them to determine if the city can be considered an ideal smart city or not.

Keywords: factors, indicators, logic gates, pillars, smart city

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6900 Quality Evaluation of Bread Enriched with Red Sweet Pepper Powder (Capsicum annuum)

Authors: Ramandeep Kaur, Kamaljit Kaur, Preeti Ahluwalia, Poonam A. Sachdev

Abstract:

Bread is an ideal vehicle to impart bioactive compounds to the consumers in a convenient manner. This study evaluated bread enriched with red sweet pepper powder (RSP) at 2, 4, 6, 8, 10% and compared to control bread (without RSP). The bread crumbs were assayed for bioactive, physical, nutritional, textural, color, and sensory properties. Bread supplemented with RSP improved its color, nutritional, and bioactive properties. The low moisture content and increased hardness were observed at higher levels of RSP. Color intensity (expressed as L*, a*, b* values) of bread with 2 and 4% RSP were lower than those of high levels, and the same trend was observed for protein, fibre and ash content of bread. Significant (p < 0.05) increases were recorded for bioactive compounds such as total phenols (0.145 to 235 mg GAE/g), antioxidant activity (56% to 78%) and flavonoids (0.112 to 0.379 mg/g) as the level of powder increased. Bread enriched with 8% RSP showed improved sensory profile as compared to control, whereas a further increase in RSP decreased the sensory and textural properties. Thus, RSP act as a natural colorant and functional food that enhanced the functional and nutritional properties of bread and can be used to customize bread for specific health needs.

Keywords: breads, bioactive compounds, red sweet pepper powder, sensory scores

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6899 Evaluation of Mango Seed Extract as Surfactant for Enhanced Oil Recovery

Authors: Ezzaddin Rashid Hussein

Abstract:

This research investigates the viability of mango seed extract (MSE) using a surfactant to improve oil recovery (EOR). This research examines MSE-based surfactant solutions and compares them to more traditional synthetic surfactants in terms of phase behaviour and interfacial tension. The phase behaviour and interfacial tension of five samples of surfactant solutions with different concentrations were measured. Samples 1 (2.0 g) and 1 (1.5 g) performed closest to the critical micelle concentration (CMC) and displayed the greatest decrease in surface tension, according to the results. In addition, the measurement of IFT, contact angle, and pH, as well as comparison with prior research, highlights the potential environmental benefits of MSMEs as an eco-friendly alternative. It is recommended that additional research be conducted to assess their stability and behaviour under reservoir conditions. Overall, mango seed extract demonstrates promise as a natural and sustainable surfactant for enhancing oil recovery, paving the way for eco-friendly enhanced oil recovery techniques.

Keywords: oil and gas, mango seed powder, surfactants, enhanced oil recovery, interfacial tension IFT, wettability, contacts angle, phase behavior, pH

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6898 Surface-Enhanced Raman Detection in Chip-Based Chromatography via a Droplet Interface

Authors: Renata Gerhardt, Detlev Belder

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Raman spectroscopy has attracted much attention as a structurally descriptive and label-free detection method. It is particularly suited for chemical analysis given as it is non-destructive and molecules can be identified via the fingerprint region of the spectra. In this work possibilities are investigated how to integrate Raman spectroscopy as a detection method for chip-based chromatography, making use of a droplet interface. A demanding task in lab-on-a-chip applications is the specific and sensitive detection of low concentrated analytes in small volumes. Fluorescence detection is frequently utilized but restricted to fluorescent molecules. Furthermore, no structural information is provided. Another often applied technique is mass spectrometry which enables the identification of molecules based on their mass to charge ratio. Additionally, the obtained fragmentation pattern gives insight into the chemical structure. However, it is only applicable as an end-of-the-line detection because analytes are destroyed during measurements. In contrast to mass spectrometry, Raman spectroscopy can be applied on-chip and substances can be processed further downstream after detection. A major drawback of Raman spectroscopy is the inherent weakness of the Raman signal, which is due to the small cross-sections associated with the scattering process. Enhancement techniques, such as surface enhanced Raman spectroscopy (SERS), are employed to overcome the poor sensitivity even allowing detection on a single molecule level. In SERS measurements, Raman signal intensity is improved by several orders of magnitude if the analyte is in close proximity to nanostructured metal surfaces or nanoparticles. The main gain of lab-on-a-chip technology is the building block-like ability to seamlessly integrate different functionalities, such as synthesis, separation, derivatization and detection on a single device. We intend to utilize this powerful toolbox to realize Raman detection in chip-based chromatography. By interfacing on-chip separations with a droplet generator, the separated analytes are encapsulated into numerous discrete containers. These droplets can then be injected with a silver nanoparticle solution and investigated via Raman spectroscopy. Droplet microfluidics is a sub-discipline of microfluidics which instead of a continuous flow operates with the segmented flow. Segmented flow is created by merging two immiscible phases (usually an aqueous phase and oil) thus forming small discrete volumes of one phase in the carrier phase. The study surveys different chip designs to realize coupling of chip-based chromatography with droplet microfluidics. With regards to maintaining a sufficient flow rate for chromatographic separation and ensuring stable eluent flow over the column different flow rates of eluent and oil phase are tested. Furthermore, the detection of analytes in droplets with surface enhanced Raman spectroscopy is examined. The compartmentalization of separated compounds preserves the analytical resolution since the continuous phase restricts dispersion between the droplets. The droplets are ideal vessels for the insertion of silver colloids thus making use of the surface enhancement effect and improving the sensitivity of the detection. The long-term goal of this work is the first realization of coupling chip based chromatography with droplets microfluidics to employ surface enhanced Raman spectroscopy as means of detection.

Keywords: chip-based separation, chip LC, droplets, Raman spectroscopy, SERS

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6897 Molecular Engineering of Intrinsically Microporous Polybenzimidazole for Energy-efficient Gas Separation

Authors: Mahmoud Abdulhamid, Rifan Hardian, Prashant Bhatt, Shuvo Datta, Adrian Ramirez, Jorge Gascon, Mohamed Eddaoudi, Gyorgy Szekely

Abstract:

Polybenzimidazole (PBI) is a high-performance polymer that exhibits high thermal and chemical stability. However, it suffers from low porosity and low fractional free volume, which hinder its application as separation material. Herein, we demonstrate the molecular engineering of gas separation materials by manipulating a PBI backbone possessing kinked moieties. PBI was selected as it contains NH groups which increase the affinity towards CO₂, increase sorption capacity, and favors CO₂ over other gasses. We have designed and synthesized an intrinsically microporous polybenzimidazole (iPBI) featuring a spirobisindane structure. Introducing a kinked moiety in conjunction with crosslinking enhanced the polymer properties, markedly increasing the gas separation performance. In particular, the BET surface area of PBI increased 30-fold by replacing a flat benzene ring with a kinked structure. iPBI displayed a good CO₂ uptake of 1.4 mmol g⁻¹ at 1 bar and 3.6 mmol g⁻¹ at 10 bar. Gas sorption uptake and breakthrough experiments were conducted using mixtures of CO₂/CH₄ (50%/50%) and CO₂/N₂ (50%/50%), which revealed the high selectivity of CO₂ over both CH₄ and N₂. The obtained CO₂/N₂ selectivity is attractive for power plant flue gas application requiring CO₂ capturing materials. Energy and process simulations of biogas CO₂ removal demonstrated that up to 70% of the capture energy could be saved when iPBI was used rather than the current amine technology (methyl diethanolamine [MDEA]). Similarly, the combination of iPBI and MDEA in a hybrid system exhibited the highest CO₂ capture yield (99%), resulting in nearly 50% energy saving. The concept of enhancing the porosity of PBI using kinked moieties provides new scope for designing highly porous polybenzimidazoles for various separation processes.

Keywords: polybenzimidazole (PBI), intrinsically microporous polybenzimidazole (iPBI), gas separation, pnergy and process simulations

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6896 Religion versus Secularism on Women’s Liberation: The Question of Women Liberation and Modern Education

Authors: Kinda AlSamara

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The nineteenth century was characterized by major educational reforms in the Arab World. One of the unintended outcomes of colonization in Arab countries was the initiation of women liberation as well as the introduction of modern education and its application in sensitizing people on the rights of women and their liberation. The reforms were often attributed to various undercurrents that took place at different levels within the Ottoman Empire, and particularly the arrival and influence of the Christian missionaries were supported by the American and European governments. These trends were also significantly attributed to the increase in the presence of Europeans in the region, as well as the introduction of secular ideas and approaches related to the meaning of modernity. Using literary analysis as a method, this paper examines the role of an important male figure like the political activist and writer Qāsim Amīn and the religious reformer Muḥammad ʻAbduh in starting this discourse and shows their impact on the emancipation of women movement (Taḥrīr), and how later women led the movement with their published work. This paper explores Arab Salons and the initiation of women’s literary circles. Women from wealthy families in Egypt and Syria who had studied in Europe or interacted with European counterparts began these circles. These salons acted as central locations where people could meet and hold discussions on political, social, and literary trends as they happened each day. The paper concludes with a discussion of current debates between the Islamist and the secularist branches of the movement today. While the Islamists believe that adhering to the core of Islam with some of its contested position on women is a modern ideology of liberation that fits the current culture of modern time Egypt; the secularists argue that the influence that Islam has on the women’s liberation movement in Egypt has been a threat to the natural success and progress of the movement, which was initiated in the early nineteenth century independent of the more recent trends towards religiosity in the country.

Keywords: educational model, crisis of terminologies, Arab awakening, nineteenth century

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6895 Detection and Molecular Identification of Bacteria Forming Polyhydroxyalkanoate and Polyhydroxybutyrate Isolated from Soil in Saudi Arabia

Authors: Ali Bahkali, Rayan Yousef Booq, Mohammad Khiyami

Abstract:

Soil samples were collected from five different regions in the Kingdom of Saudi Arabia. Microbiological methods included dilution methods and pour plates to isolate and purify bacteria soil. The ability of isolates to develop biopolymer was investigated on petri dishes containing elements and substance concentrations stimulating developing biopolymer. Fluorescent stains, Nile red and Nile blue were used to stain the bacterial cells developing biopolymers. In addition, Sudan black was used to detect biopolymers in bacterial cells. The isolates which developed biopolymers were identified based on their gene sequence of 1 6sRNA and their ability to grow and synthesize PHAs on mineral medium supplemented with 1% dates molasses as the only carbon source under nitrogen limitation. During the study 293 bacterial isolates were isolated and detected. Through the initial survey on the petri dishes, 84 isolates showed the ability to develop biopolymers. These bacterial colonies developed a pink color due to accumulation of the biopolymers in the cells. Twenty-three isolates were able to grow on dates molasses, three strains of which showed the ability to accumulate biopolymers. These strains included Bacillus sp., Ralstonia sp. and Microbacterium sp. They were detected by Nile blue A stain with fluorescence microscopy (OLYMPUS IX 51). Among the isolated strains Ralstonia sp. was selected after its ability to grow on molasses dates in the presence of a limited nitrogen source was detected. The optimum conditions for formation of biopolymers by isolated strains were investigated. Conditions studied included, best incubation duration (2 days), temperature (30°C) and pH (7-8). The maximum PHB production was raised by 1% (v1v) when using concentrations of dates molasses 1, 2, 3, 4 and 5% in MSM. The best inoculated with 1% old inoculum (1= OD). The ideal extraction method of PHA and PHB proved to be 0.4% sodium hypochlorite solution, producing a quantity of polymer 98.79% of the cell's dry weight. The maximum PHB production was 1.79 g/L recorded by Ralstonia sp. after 48 h, while it was 1.40 g/L produced by R.eutropha ATCC 17697 after 48 h.

Keywords: bacteria forming polyhydroxyalkanoate, detection, molecular, Saudi Arabia

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6894 Effect of Self-Lubricating Carbon Materials on the Tribological Performance of Ultra-High Molecular Weight Polyethylene

Authors: Nayeli Camacho, Fernanda Lara-Perez, Carolina Ortega-Portilla, Diego G. Espinosa-Arbelaez, Juan M. Alvarado-Orozco, Guillermo C. Mondragon-Rodriguez

Abstract:

Ultra-high molecular weight polyethylene (UHMWPE) has been the gold standard material for total knee replacements for almost five decades. Wear damage to UHMWPE articulating surface is inevitable due to the natural sliding and rolling movements of the knee. This generates a considerable amount of wear debris, which results in mechanical instability of the joint, reduces joint mobility, increases pain with detrimental biologic responses, and causes component loosening. The presence of wear particles has been closely related to adverse reactions in the knee joint surrounding tissue, especially for particles in the range of 0.3 to 2 μm. Carbon-based materials possess excellent mechanical properties and have shown great promise in tribological applications. In this study, diamond-like carbon coatings (DLC) and carbon nanotubes (CNTs) were used to decrease the wear rate of ultra-high molecular weight polyethylene. A titanium doped DLC (Ti-DLC) was deposited by magnetron sputtering on stainless steel precision spheres while CNTs were used as a second phase reinforcement in UHMWPE at a concentration of 1.25 wt.%. A comparative tribological analysis of the wear of UHMWPE and UHMWPE-CNTs with a stainless steel counterpart with and without Ti-DLC coating is presented. The experimental wear testing was performed on a pin-on-disc tribometer under dry conditions, using a reciprocating movement with a load of 1 N at a frequency of 2 Hz for 100,000 and 200,000 cycles. The wear tracks were analyzed with high-resolution scanning electron microscopy to determine wear modes and observe the size and shape of the wear debris. Furthermore, profilometry was used to study the depth of the wear tracks and to map the wear of the articulating surface. The wear tracks at 100,000 and 200,000 cycles on all samples were relatively shallow, and they were in the range of average roughness. It was observed that the Ti-DLC coating decreases the mass loss in the UHMWPE and the depth of the wear track. The combination of both carbon-based materials decreased the material loss compared to the system of stainless steel and UHMWPE. Burnishing of the surface was the predominant wear mode observed with all the systems, more subtle for the systems with Ti-DLC coatings. Meanwhile, in the system composed of stainless steel-UHMWPE, the intrinsic surface roughness of the material was completely replaced by the wear tracks.

Keywords: CNT reinforcement, self-lubricating materials, Ti-DLC, UHMWPE tribological performance

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6893 Iontophoretic Drug Transport: An Non-Invasive Transdermal Approach

Authors: Ashish Jain, Shivam Tayal

Abstract:

There has been great interest in the field of Iontophoresis since few years due to its great applications in the field of controlled transdermal drug delivery system. It is an technique which is used to enhance the transdermal permeation of ionized high molecular weight molecules across the skin membrane especially Peptides & Proteins by the application of direct current of 1-4 mA for 20-40 minutes whereas chemical must be placed on electrodes with same charge. Iontophoresis enhanced the delivery of drug into the skin via pores like hair follicles, sweat gland ducts etc. rather than through stratum corneum. It has wide applications in the field of experimental, Therapeutic, Diagnostic, Dentistry etc. Medical science is using it to treat Hyperhidrosis (Excessive sweating) in hands and feet and to treat other ailments like hypertension, Migraine etc. Nowadays commercial transdermal iontophoretic patches are available in the market to treat different ailments. Researchers are keen to research in this field due to its vast applications and advantages.

Keywords: iontophoresis, novel drug delivery, transdermal, permeation enhancer

Procedia PDF Downloads 248
6892 Preparation of Melt Electrospun Polylactic Acid Nanofibers with Optimum Conditions

Authors: Amir Doustgani

Abstract:

Melt electrospinning is a safe and simple technique for the production of micro and nanofibers which can be an alternative to conventional solvent electrospinning. The effects of various melt-electrospinning parameters, including molecular weight, electric field strength, flow rate and temperature on the morphology and fiber diameter of polylactic acid were studied. It was shown that molecular weight was the predominant factor in determining the obtainable fiber diameter of the collected fibers. An orthogonal design was used to examine process parameters. Results showed that molecular weight is the most effective parameter on the average fiber diameter of melt electrospun PLA nanofibers and the flow rate has the less important impact. Mean fiber diameter increased by increasing MW and flow rate, but decreased by increasing electric field strength and temperature. MFD of optimized fibers was below 100 nm and the result of software was in good agreement with the experimental condition.

Keywords: fiber formation, processing, spinning, melt blowing

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6891 GIS Model for Sanitary Landfill Site Selection Based on Geotechnical Parameters

Authors: Hecson Christian, Joel Macwan

Abstract:

Landfill site selection in an urban area is a critical issue in the planning process. With the growth of the urbanization, it has a mammoth impact on the economy, ecology, and environmental health of the region. Outsized amount of wastes are produced and the problem gets soared every day. Hence, selection of ideal site for sanitary landfill is a challenge for urban planners and solid waste managers. Disposal site is a function of many parameters. Among all, Geotechnical parameters are very vital as the same is related to surrounding open land. Moreover, the accessible safe and acceptable land is also scarce. Therefore, in this paper geotechnical parameters are used to develop a GIS model to identify an ideal location for landfill purpose. Metropolitan city of Surat is highly populated and fastest growing urban area in India. The research objectives are to conduct field experiments to collect data and to transfer the facts in GIS platform to evolve a model, to find ideal location. Planners’ preferences were obtained to use analytical hierarchical process (AHP) to find weights of each parameter. Integration of GIS and Multi-Criteria Decision Analysis (MCDA) techniques are applied to improve decision-making. It augments an environment for transformation and combination of geographical data and planners’ preferences. GIS performs deterministic overlay and buffer operations. MCDA methods evaluate alternatives based on the decision makers’ subjective values and priorities. Research results have shown many alternative locations. Economic analysis of selected site from actual operations point of view is not included in this research.

Keywords: GIS, AHP, MCDA, Geo-technical

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6890 AI-Enhanced Self-Regulated Learning: Proposing a Comprehensive Model with 'Studium' to Meet a Student-Centric Perspective

Authors: Smita Singh

Abstract:

Objective: The Faculty of Chemistry Education at Humboldt University has developed ‘Studium’, a web application designed to enhance long-term self-regulated learning (SRL) and academic achievement. Leveraging advanced generative AI, ‘Studium’ offers a dynamic and adaptive educational experience tailored to individual learning preferences and languages. The application includes evolving tools for personalized notetaking from preferred sources, customizable presentation capabilities, and AI-assisted guidance from academic documents or textbooks. It also features workflow automation and seamless integration with collaborative platforms like Miro, powered by AI. This study aims to propose a model that combines generative AI with traditional features and customization options, empowering students to create personalized learning environments that effectively address the challenges of SRL. Method: To achieve this, the study included graduate and undergraduate students from diverse subject streams, with 15 participants each from Germany and India, ensuring a diverse educational background. An exploratory design was employed using a speed dating method with enactment, where different scenario sessions were created to allow participants to experience various features of ‘Studium’. The session lasted for 50 minutes, providing an in-depth exploration of the platform's capabilities. Participants interacted with Studium’s features via Zoom conferencing and were then engaged in semi-structured interviews lasting 10-15 minutes to gain deeper insights into the effectiveness of ‘Studium’. Additionally, online questionnaire surveys were conducted before and after the session to gather feedback and evaluate satisfaction with self-regulated learning (SRL) after using ‘Studium’. The response rate of this survey was 100%. Results: The findings of this study indicate that students widely acknowledged the positive impact of ‘Studium’ on their learning experience, particularly its adaptability and intuitive design. They expressed a desire for more tools like ‘Studium’ to support self-regulated learning in the future. The application significantly fostered students' independence in organizing information and planning study workflows, which in turn enhanced their confidence in mastering complex concepts. Additionally, ‘Studium’ promoted strategic decision-making and helped students overcome various learning challenges, reinforcing their self-regulation, organization, and motivation skills. Conclusion: This proposed model emphasizes the need for effective integration of personalized AI tools into active learning and SRL environments. By addressing key research questions, our framework aims to demonstrate how AI-assisted platforms like “Studium” can facilitate deeper understanding, maintain student motivation, and support the achievement of academic goals. Thus, our ideal model for AI-assisted educational platforms provides a strategic approach to enhance student's learning experiences and promote their development as self-regulated learners. This proposed model emphasizes the need for effective integration of personalized AI tools into active learning and SRL environments. By addressing key research questions, our framework aims to demonstrate how AI-assisted platforms like ‘Studium’ can facilitate deeper understanding, maintain student motivation, and support the achievement of academic goals. Thus, our ideal model for AI-assisted educational platforms provides a strategic approach to enhance student's learning experiences and promote their development as self-regulated learners.

Keywords: self-regulated learning (SRL), generative AI, AI-assisted educational platforms

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6889 Exploring the Design of Prospective Human Immunodeficiency Virus Type 1 Reverse Transcriptase Inhibitors through a Comprehensive Approach of Quantitative Structure Activity Relationship Study, Molecular Docking, and Molecular Dynamics Simulations

Authors: Mouna Baassi, Mohamed Moussaoui, Sanchaita Rajkhowa, Hatim Soufi, Said Belaaouad

Abstract:

The objective of this paper is to address the challenging task of targeting Human Immunodeficiency Virus type 1 Reverse Transcriptase (HIV-1 RT) in the treatment of AIDS. Reverse Transcriptase inhibitors (RTIs) have limitations due to the development of Reverse Transcriptase mutations that lead to treatment resistance. In this study, a combination of statistical analysis and bioinformatics tools was adopted to develop a mathematical model that relates the structure of compounds to their inhibitory activities against HIV-1 Reverse Transcriptase. Our approach was based on a series of compounds recognized for their HIV-1 RT enzymatic inhibitory activities. These compounds were designed via software, with their descriptors computed using multiple tools. The most statistically promising model was chosen, and its domain of application was ascertained. Furthermore, compounds exhibiting comparable biological activity to existing drugs were identified as potential inhibitors of HIV-1 RT. The compounds underwent evaluation based on their chemical absorption, distribution, metabolism, excretion, toxicity properties, and adherence to Lipinski's rule. Molecular docking techniques were employed to examine the interaction between the Reverse Transcriptase (Wild Type and Mutant Type) and the ligands, including a known drug available in the market. Molecular dynamics simulations were also conducted to assess the stability of the RT-ligand complexes. Our results reveal some of the new compounds as promising candidates for effectively inhibiting HIV-1 Reverse Transcriptase, matching the potency of the established drug. This necessitates further experimental validation. This study, beyond its immediate results, provides a methodological foundation for future endeavors aiming to discover and design new inhibitors targeting HIV-1 Reverse Transcriptase.

Keywords: QSAR, ADMET properties, molecular docking, molecular dynamics simulation, reverse transcriptase inhibitors, HIV type 1

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6888 Computational Prediction of the Effect of S477N Mutation on the RBD Binding Affinity and Structural Characteristic, A Molecular Dynamics Study

Authors: Mohammad Hossein Modarressi, Mozhgan Mondeali, Khabat Barkhordari, Ali Etemadi

Abstract:

The COVID-19 pandemic, caused by SARS-CoV-2, has led to significant concerns worldwide due to its catastrophic effects on public health. The SARS-CoV-2 infection is initiated with the binding of the receptor-binding domain (RBD) in its spike protein to the ACE2 receptor in the host cell membrane. Due to the error-prone entity of the viral RNA-dependent polymerase complex, the virus genome, including the coding region for the RBD, acquires new mutations, leading to the appearance of multiple variants. These variants can potentially impact transmission, virulence, antigenicity and evasive immune properties. S477N mutation located in the RBD has been observed in the SARS-CoV-2 omicron (B.1.1. 529) variant. In this study, we investigated the consequences of S477N mutation at the molecular level using computational approaches such as molecular dynamics simulation, protein-protein interaction analysis, immunoinformatics and free energy computation. We showed that displacement of Ser with Asn increases the stability of the spike protein and its affinity to ACE2 and thus increases the transmission potential of the virus. This mutation changes the folding and secondary structure of the spike protein. Also, it reduces antibody neutralization, raising concern about re-infection, vaccine breakthrough and therapeutic values.

Keywords: S477N, COVID-19, molecular dynamic, SARS-COV2 mutations

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6887 The Relationship between Functional Movement Screening Test and Prevalence of Musculoskeletal Disorders in Emergency Nurse and Emergency Medical Services Staff Shiraz, Iran, 2017

Authors: Akram Sadat Jafari Roodbandi, Alireza Choobineh, Nazanin Hosseini, Vafa Feyzi

Abstract:

Introduction: Physical fitness and optimum functional movement are essential for efficiently performing job tasks without fatigue and injury. Functional Movement Screening (FMS) tests are used in screening of athletes and military forces. Nurses and emergency medical staff are obliged to perform many physical activities such as transporting patients, CPR operations, etc. due to the nature of their jobs. This study aimed to assess relationship between FMS test score and the prevalence of musculoskeletal disorders (MSDs) in emergency nurses and emergency medical services (EMS) staff. Methods: 134 male and female emergency nurses and EMS technicians participated in this cross-sectional, descriptive-analytical study. After video tutorial and practical training of how to do FMS test, the participants carried out the test while they were wearing comfortable clothes. The final score of the FMS test ranges from 0 to 21. The score of 14 is considered weak in the functional movement base on FMS test protocol. In addition to the demographic data questionnaire, the Nordic musculoskeletal questionnaire was also completed for each participant. SPSS software was used for statistical analysis with a significance level of 0.05. Results: Totally, 49.3% (n=66) of the subjects were female. The mean age and work experience of the subjects were 35.3 ± 8.7 and 11.4 ± 7.7, respectively. The highest prevalence of MSDs was observed at the knee and lower back with 32.8% (n=44) and 23.1% (n=31), respectively. 26 (19.4%) health worker had FMS test score of 14 and less. The results of the Spearman correlation test showed that the FMS test score was significantly associated with MSDs (r=-0.419, p < 0.0001). It meant that MSDs increased with the decrease of the FMS test score. Age, sex, and MSDs were the remaining significant factors in linear regression logistic model with dependent variable of FMS test score. Conclusion: FMS test seems to be a usable screening tool in pre-employment and periodic medical tests for occupations that require physical fitness and optimum functional movements.

Keywords: functional movement, musculoskeletal disorders, health care worker, screening test

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6886 Cakrawala Baca Transformation Model into Social Enterprise: A Benchmark Approach from Socentra Agro Mandiri (SAM) and Agritektur

Authors: Syafinatul Fitri

Abstract:

Cakrawala Baca is one of social organization in Indonesia that realize to transform its organization into social enterprise to create more sustainable organization that result more sustainable social impact. Cakrawala Baca implements voluntary system for its organization and it has passive social target. It funds its program by several fund rising activities that depend on donors or sponsor. Therefore social activity that held does not create sustainable social impact. It is different with social enterprise that usually more independent in funding its activity through social business and implement active social target and professional work for organization member. Therefore social enterprise can sustain its organization and then able to create sustainable social impact. Developing transformation model from social movement into social enterprise is the focus of this study. To achieve the aim of study, benchmark approach from successful social enterprise in Indonesia that has previously formed as social movement is employed. The benchmark is conducted through internal and external scanning that result the understanding of how they transformed into social enterprise. After understanding SAM and Agritektur transformation, transformation pattern is formulated based on their transformation similarities. This transformation pattern will be implemented to formulate the transformation plan for Cakrawala Baca to be a social enterprise.

Keywords: social movement/social organization, non-profit organization (NPO), social enterprise, transformation, Benchmarks approach

Procedia PDF Downloads 503
6885 Water Injection in order to Enhanced Oil Recovery

Authors: Hooman Fallah, Fatemeh Karampour

Abstract:

Low salinity water (LSW) has been proved to be efficacious because of low cost and ability to change properties of reservoir rock and fluids and their interactions toward desired condition. These include change in capillary pressure, interfacial tension, wettability tendency, permeability and pore sizing. This enhanced oil recovery (EOR) method has been studied so far for evaluating capability of inducing recent mentioned parameters and the mechanisms of its operation and applicabi-lity in different fields. This study investigates the effect of three types of salts (including Ca2+, Mg2+, and SO42-) on wettability and final oil recovery in labratory.

Keywords: low salinity water, smart water, wettability alteration, carbonated reservoir

Procedia PDF Downloads 306