Search results for: dissociation

Authors: M. Moghiman, S. M. Javadi, A. R. Moghiman, S. Baghdar Hosseini

Abstract:

The main issue in sweetening natural gas is H2S dissociation. The present study is concerned with simulating thermal dissociation of H2S in industrial natural gas carbon black furnace. The comparison of calculated results against experimental measurements shows good agreement. The results show that sulfur derived from H2S thermal dissociation peaked at φ=0.95. H2S thermal dissociation is enhanced in equivalence ratio upper than 1 and H2S oxidization is increased in equivalence ratio lower than 1. H2 concentration of H2S thermal dissociation is increased with increase of equivalence ratio up to 1. Also, H2S concentration decreased in outlet as equivalence ratio increases. H2S thermal dissociation to hydrogen and Sulfur reduces its toxic characteristics and make economical benefits.

Keywords: Equivalence ratio, H2S, natural gas furnace, thermaldissociation.

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Authors: Qazi Nasir, K. K. Lau, Bhajan Lal

Abstract:

In this study the enthalpies of dissociation for pure methane and pure carbon dioxide was calculated using a hydrate equilibrium data obtained in this study. The enthalpy of dissociation was determined using Clausius-Clapeyron equation. The results were compared with the values reported in literature obtained using various techniques.

Keywords: Enthalpies of dissociation, methane, carbon dioxide, gas hydrate, natural gas.

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Authors: Alisha Fisher

Abstract:

Healing from sexual trauma can be a tumultuous process, filled with loneliness, confusion, and many unknowns or surprising road bumps. Survivors of sexual violence will often battle with the post traumatic difficulties following the trauma, some of which involve struggles with reconnecting with sexual pleasure. The goal of this paper is to analyze various papers to identify if there is a connection to survivors navigating the symptom of dissociation during self-sexual pleasuring care through grounding and mindfulness strategies. We conclude that there can be benefits to engaging in strategies of grounding and mindfulness can bring a level of presence to survivor’s mind, and body that can assist with reducing the anxieties and dissociation events dur solo sexual play. As such, service providers of survivors of sexual violence should be discussing the options of solo masturbation experiences mixed with grounding and mindfulness processes for survivors to heal and re-claim their sexual lifestyles.

Keywords: Masturbation healing, sexual violence survivor, survivor healing, survivor masturbation.

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Authors: Babajide O. Ogungbesan, Rajneesh Kumar, Mohamed Sassi

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Hydrogen sulfide (H2S) is a very toxic gas that is produced in very large quantities in the oil and gas industry. It cannot be flared to the atmosphere and Claus process based gas plants are used to recover the sulfur and convert the hydrogen to water. In this paper, we present optical characterization of an atmospheric pressure microwave plasma torch for H2S dissociation into hydrogen and sulfur. The torch is operated at 2.45 GHz with power up to 2 kW. Three different gases can simultaneously be injected in the plasma torch. Visual imaging and optical emission spectroscopy are used to characterize the plasma for varying gas flow rates and microwave power. The plasma length, emission spectra and temperature are presented. The obtained experimental results validate our earlier published simulation results of plasma torch.

Keywords: Atmospheric pressure microwave plasma, gas dissociation, optical emission spectroscopy.

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Authors: Leena Sharma

Abstract:

Chemical reaction and diffusion are important phenomena in quantitative neurobiology and biophysics. The knowledge of the dynamics of calcium Ca²⁺ is very important in cellular physiology because Ca²⁺ binds to many proteins and regulates their activity and interactions Calcium waves propagate inside cells due to a regenerative mechanism known as calcium-induced calcium release. Buffer-mediated calcium diffusion in the cytosol plays a crucial role in the process. A mathematical model has been developed for calcium waves by assuming the buffers are in equilibrium with calcium i.e., the rapid buffering approximation for a one dimensional unsteady state case. This model incorporates important physical and physiological parameters like dissociation rate, diffusion rate, total buffer concentration and influx. The finite difference method has been employed to predict [Ca²⁺] and buffer concentration time course regardless of the calcium influx. The comparative studies of the effect of the rapid buffered diffusion and kinetic parameters of the model on the concentration time course have been performed.

Keywords: Calcium Profile, Rapid Buffering Approximation, Influx, Dissociation rate constant.

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Authors: R. Henry, J-B. Paulin, St. Fauchille, Ph. Delord, K. Benkirane, A. Brunel

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In this paper the CVA computation of interest rate swap is presented based on its rating. Rating and probability default given by Moody’s Investors Service are used to calculate our CVA for a specific swap with different maturities. With this computation the influence of rating variation can be shown on CVA. Application is made to the analysis of Greek CDS variation during the period of Greek crisis between 2008 and 2011. The main point is the determination of correlation between the fluctuation of Greek CDS cumulative value and the variation of swap CVA due to change of rating.

Keywords: CDS, Computation, CVA, Greek Crisis, Interest Rate Swap, Maturity, Rating, Swap.

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Authors: Liang Zhang, Hai-Tao Zhang, W ei-Yong Ying, Ding-Ye Fang

Abstract:

Dehydration of methanol to dimethyl ether (DME) over a commercial Al2O3 catalyst was studied in an isothermal integral fixed bed reactor. The experiments were performed on the temperature interval 513-613 K, liquid hourly space velocity (LHSV) of 0.9-2.1h-1, pressures between 0.1 and 1.0 MPa. The effect of different operation conditions on the dehydration of methanol was investigated in a laboratory scale experiment. A new intrinsic kinetics equation based on the mechanism of Langmuir-Hinshelwood dissociation adsorption was developed for the dehydration reaction by fitting the expressions to the experimental data. An activation energy of 67.21 kJ/mol was obtained for the catalyst with the best performance. Statistic test showed that this new intrinsic kinetics equation was acceptable.

Keywords: catalyst, dimethyl ether, intrinsic kinetics, methanol

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

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In this study, we demonstrate the production of natural gas hydrates from permeable marine sediments with simultaneous mechanisms for methane recovery and methane-air or methane-air/carbon dioxide replacement. The simultaneous melting happens until the chemical potentials become equal in both phases as natural gas hydrate depletion continues and self-regulated methane-air replacement occurs over an arbitrary point. We observed certain point between dissociation and replacement mechanisms in the natural gas hydrate reservoir, and we call this boundary as critical methane concentration. By the way, when carbon dioxide was added, the process of chemical exchange of methane by air/carbon dioxide was observed in the natural gas hydrate. The suggested process will operate well for most global natural gas hydrate reservoirs, regardless of the operating conditions or geometrical constraints.

Keywords: Air injection, Carbon dioxide sequestration, Hydrate production, Natural gas hydrate.

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Authors: Tadaaki Sato, Ryo Ohmura

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This paper reports the influence of sucrose on the preservation of CO2 hydrate crystal samples. The particle diameter of hydrate samples were 1.0 and 5.6-8.0 mm. Mass fraction of sucrose in the sample was 0.16. The samples were stored at the aerated condition under atmospheric pressure and at the temperature of 253 or 258 K. The results indicated that the mass fractions of CO2 hydrate in the samples with sucrose were 0.10 ± 0.03 at the end of 3-week preservation, regardless of temperature and particle diameter. Mass fraction of CO2 hydrate in the samples with sucrose was higher than that of pure CO2 hydrate for 1.0 mm particle diameter, while was lower than that of pure CO2 hydrate for 5.6-8.0 mm particle diameter. Discussion is made on the influence of sucrose on the dissociation of CO2 hydrate and the resulting formation of ice.

Keywords: Clathrate hydrates, Carbon dioxide

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Authors: R. Haoui

Abstract:

Hypersonic flows around spatial vehicles during their reentry phase in planetary atmospheres are characterized by intense aerothermodynamics 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 and the no slip condition at the wall. For this purpose, the Navier-Stokes equations system is resolved by the finite volume methodology to determine the flow parameters around the axisymmetric blunt body especially at the stagnation point and in the boundary layer along the wall of the blunt body. The code allows the capture of shock wave before a blunt body placed in hypersonic free stream. The numerical technique uses the Flux Vector Splitting method of Van Leer. CFL coefficient and mesh size level are selected to ensure the numerical convergence.

Keywords: Hypersonic flow, viscous flow, chemical kinetic, dissociation, finite volumes, frozen and non-equilibrium flow.

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Authors: Rabah Haoui

Abstract:

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

Keywords: Chemical kinetic, dissociation, finite volumes, frozen, hypersonic flow, non-equilibrium, Reactive flow, supersonicflow , vibration.

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Authors: F. Esmaeilzadeh, M. E. Zeighami, J. Fathi

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This paper describes a one-dimensional numerical model for natural gas production from the dissociation of methane hydrate in hydrate-capped gas reservoir under depressurization and thermal stimulation. Some of the hydrate reservoirs discovered are overlying a free-gas layer, known as hydrate-capped gas reservoirs. These reservoirs are thought to be easiest and probably the first type of hydrate reservoirs to be produced. The mathematical equations that can be described this type of reservoir include mass balance, heat balance and kinetics of hydrate decomposition. These non-linear partial differential equations are solved using finite-difference fully implicit scheme. In the model, the effect of convection and conduction heat transfer, variation change of formation porosity, the effect of using different equations of state such as PR and ER and steam or hot water injection are considered. In addition distributions of pressure, temperature, saturation of gas, hydrate and water in the reservoir are evaluated. It is shown that the gas production rate is a sensitive function of well pressure.

Keywords: Hydrate reservoir, numerical modeling, depressurization, thermal stimulation, gas generation.

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Authors: A. Derardja

Abstract:

The present work is motivated by the idea that the layer deformation in anisotropic elasticity can be estimated from the theory of interfacial dislocations. In effect, this work which is an extension of a previous approach given by one of the authors determines the anisotropic displacement fields and the critical thickness due to a complex biperiodic network of MDs lying just below the free surface in view of the arrangement of dislocations. The elastic fields of such arrangements observed along interfaces play a crucial part in the improvement of the physical properties of epitaxial systems. New results are proposed in anisotropic elasticity for hexagonal networks of MDs which contain intrinsic and extrinsic stacking faults. We developed, using a previous approach based on the relative interfacial displacement and a Fourier series formulation of the displacement fields, the expressions of elastic fields when there is a possible dissociation of MDs. The numerical investigations in the case of the observed system Si/(111)Si with low twist angles show clearly the effect of the anisotropy and thickness when the misfit networks are dissociated.

Keywords: Angular misfit, dislocation networks, plane interfaces, stacking faults.

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Authors: Juan L. Acero, F. Javier Benitez, Francisco J. Real, Gloria Roldan, Francisco Casas

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The bromination of five selected pharmaceuticals (metoprolol, naproxen, amoxicillin, hydrochlorotiazide and phenacetin) in ultrapure water and in three water matrices (a groundwater, a surface water from a public reservoir and a secondary effluent from a WWTP) was investigated. The apparent rate constants for the bromination reaction were determined as a function of the pH, and the sequence obtained for the reaction rate was amoxicillin > naproxen >> hydrochlorotiazide ≈ phenacetin ≈ metoprolol. The proposal of a kinetic mechanism, which specifies the dissociation of bromine and each pharmaceutical according to their pKa values and the pH allowed the determination of the intrinsic rate constants for every elementary reaction. The influence of the main operating conditions (pH, initial bromine dose, and the water matrix) on the degradation of pharmaceuticals was established. In addition, the presence of bromide in chlorination experiments was investigated. The presence of bromide in wastewaters and drinking waters in the range of 10 to several hundred μg L-1 accelerated slightly the oxidation of the selected pharmaceuticals during chorine disinfection.

Keywords: Pharmaceuticals, bromine, chlorine, apparent andintrinsic rate constants, water matrices, degradation rates

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Authors: Behnaz Shahrokh, Garnik N. Sargsyan, Arkadi B. Harutyunyan

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Investigations of the unimolecular decomposition of vinyl ethyl ether (VEE), vinyl propyl ether (VPE) and vinyl butyl ether (VBE) have shown that activation of the molecule of a ether results in formation of a cyclic construction - the transition state (TS), which may lead to the displacement of the thermodynamic equilibrium towards the reaction products. The TS is obtained by applying energy minimization relative to the ground state of an ether under the program MM2 when taking into account the hydrogen bond formation between a hydrogen atom of alkyl residue and the extreme atom of carbon of the vinyl group. The dissociation of TS up to the products is studied by energy minimization procedure using the mathematical program Gaussian. The obtained calculation data for VEE testify that the decomposition of this ether may be conditioned by hydrogen bond formation for two possible versions: when α- or β- hydrogen atoms of the ethyl group are bound to carbon atom of the vinyl group. Applying the same calculation methods to other ethers (VPE and VBE) it is shown that only in the case of hydrogen bonding between α-hydrogen atom of the alkyl residue and the extreme atom of carbon of the vinyl group (αH---C) results in decay of theses ethers.

Keywords: Gaussian, MM2, ethers, TS, decomposition

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Authors: Juliana Panova

Abstract:

Severe symptoms, such as dissociation, depersonalization, self-mutilation, suicidal ideations and gestures, are the main reasons for a person to be diagnosed with Borderline Personality Disorder (BPD) and admitted to an inpatient Psychiatric Hospital. However, these symptoms are also indicators of a severe traumatic history as indicated by the extensive research on the topic. Unfortunately patients with such clinical presentation often are treated repeatedly only for their symptomatic behavior, while the main cause for their suffering, the trauma itself, is usually left unaddressed therapeutically. All of the highly structured, replicable, and manualized treatments lack the recognition of the uniqueness of the person and fail to respect his/her rights to experience and react in an idiosyncratic manner. Thus the communicative and adaptive meaning of such symptomatic behavior is missed. Only its pathological side is recognized and subjected to correction and stigmatization, and the message that the person is damaged goods that needs fixing is conveyed once again. However, this time the message would be even more convincing for the victim, because it is sent by mental health providers, who have the credibility to make such a judgment. The result is a revolving door of very expensive hospitalizations for only a temporary and patchy fix. In this way the patients, once victims of abuse and hardship are left invalidated and thus their re-victimization is perpetuated in their search for understanding and help. Keywordsborderline personality disorder (BPD), complex PTSD, integrative treatment of trauma, re-victimization of trauma victims.

Keywords: borderline personality disorder (BPD), complex PTSD, integrative treatment of trauma, re-victimization of trauma victims.

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Authors: Mojibul Sajjad, Mohammad G. Rasul, Md. Sharif Imam Ibne Amir

Abstract:

The rate of natural gas dissociation from the Coal Matrix depends on depressurization of reservoir through removing of the cleat water from the coal seam. These waters are similar to brine and aged of very long years. For improving the connectivity through fracking /fracturing, high pressure liquids are pumped off inside the coal body. A significant quantity of accumulated water, a combined mixture of cleat water and fracking fluids (back flow water) is pumped out through gas well. In Queensland, Australia Coal Seam Gas (CSG) industry is in booming state and estimated of 30,000 wells would be active for CSG production forecasting life span of 30 years. Integrated water management along with water softening programs is practiced for subsequent treatment and later on discharge to nearby surface water catchment. Water treatment is an important part of the CSG industry. A case study on a CSG site and review on the test results are discussed for assessing the Standards & Practices for management of CSG by-product water and their subsequent disposal activities. This study was directed toward (i) water management and softening process in Spring Gully CSG field, (ii) Comparative analysis on experimental study and standards and (iii) Disposal of the treated water. This study also aimed for alternative usages and their impact on vegetation, living species as well as long term effects.

Keywords: Coal Seam Gas (CSG), Cleat Water, Hydro-Fracking, Desalination, Reverse Osmosis.

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Authors: K. Paradkar, S. N. Mudliar, A. Sharma, A. B. Pandit, R. A. Pandey

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The study explores the hybrid combination of Hydrodynamic Cavitation (HC) and Subcritical Wet Air Oxidation-based pretreatment of complex industrial effluent to enhance the biodegradability selectively (without major COD destruction) to facilitate subsequent enhanced downstream processing via anaerobic or aerobic biological treatment. Advanced oxidation based techniques can be less efficient as standalone options and a hybrid approach by combining Hydrodynamic Cavitation (HC), and Wet Air Oxidation (WAO) can lead to a synergistic effect since both the options are based on common free radical mechanism. The HC can be used for initial turbulence and generation of hotspots which can begin the free radical attack and this agitating mixture then can be subjected to less intense WAO since initial heat (to raise the activation energy) can be taken care by HC alone. Lab-scale venturi-based hydrodynamic cavitation and wet air oxidation reactor with biomethanated distillery wastewater (BMDWW) as a model effluent was examined for establishing the proof-of-concept. The results indicated that for a desirable biodegradability index (BOD: COD - BI) enhancement (up to 0.4), the Cavitation (standalone) pretreatment condition was: 5 bar and 88 min reaction time with a COD reduction of 36 % and BI enhancement of up to 0.27 (initial BI - 0.17). The optimum WAO condition (standalone) was: 150oC, 6 bar and 30 minutes with 31% COD reduction and 0.33 BI. The hybrid pretreatment (combined Cavitation + WAO) worked out to be 23.18 min HC (at 5 bar) followed by 30 min WAO at 150oC, 6 bar, at which around 50% COD was retained yielding a BI of 0.55. FTIR & NMR analysis of pretreated effluent indicated dissociation and/or reorientation of complex organic compounds in untreated effluent to simpler organic compounds post-pretreatment.

Keywords: BI, hybrid, hydrodynamic cavitation, wet air oxidation.

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Authors: Ching-Wei Tsai, Chih-I Liu, Ruoh-Chyu Ruaana

Abstract:

A new strategy for oriented immobilization of proteins was proposed. The strategy contains two steps. The first step is to search for a docking site away from the active site on the protein surface. The second step is trying to find a ligand that is able to grasp the targeted site of the protein. To avoid ligand binding to the active site of protein, the targeted docking site is selected to own opposite charges to those near the active site. To enhance the ligand-protein binding, both hydrophobic and electrostatic interactions need to be included. The targeted docking site should therefore contain hydrophobic amino acids. The ligand is then selected through the help of molecular docking simulations. The enzyme α-amylase derived from Aspergillus oryzae (TAKA) was taken as an example for oriented immobilization. The active site of TAKA is surrounded by negatively charged amino acids. All the possible hydrophobic sites on the surface of TAKA were evaluated by the free energy estimation through benzene docking. A hydrophobic site on the opposite side of TAKA-s active site was found to be positive in net charges. A possible ligand, 3,3-,4,4- – Biphenyltetra- carboxylic acid (BPTA), was found to catch TAKA by the designated docking site. Then, the BPTA molecules were grafted onto silica gels and measured the affinity of TAKA adsorption and the specific activity of thereby immobilized enzymes. It was found that TAKA had a dissociation constant as low as 7.0×10-6 M toward the ligand BPTA on silica gel. The increase in ionic strength has little effect on the adsorption of TAKA, which indicated the existence of hydrophobic interaction between ligands and proteins. The specific activity of the immobilized TAKA was compared with the randomly adsorbed TAKA on primary amine containing silica gel. It was found that the orderly immobilized TAKA owns a specific activity twice as high as the one randomly adsorbed by ionic interaction.

Keywords: Protein Oriented immobilization, Molecular docking, ligand design, surface modification.

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Authors: B. Lefranc, C. Aufauvre-Poupon, C. Martin-Krumm, M. Trousselard

Abstract:

Isolated and confined environments (ICE) present several challenges which may adversely affect human’s psychology and physiology. Submariners in Sub-Surface Ballistic Nuclear (SSBN) mission exposed to these environmental constraints must be able to perform complex tasks as part of their normal duties, as well as during crisis periods when emergency actions are required or imminent. The operational and environmental constraints they face contribute to challenge human adaptability. The impact of such a constrained environment has yet to be explored. Establishing a knowledge framework is a determining factor, particularly in view of the next long space travels. Ensuring that the crews are maintained in optimal operational conditions is a real challenge because the success of the mission depends on them. This study focused on the evaluation of the impact of stress on mental health and sensory degradation of submariners during a mission on SSBN using cardiac biosignal (heart rate variability, HRV) clustering. This is a pragmatic exploratory study of a prospective cohort included 19 submariner volunteers. HRV was recorded at baseline to classify by clustering the submariners according to their stress level based on parasympathetic (Pa) activity. Impacts of high Pa (HPa) versus low Pa (LPa) level at baseline were assessed on emotional state and sensory perception (interoception and exteroception) as a cardiac biosignal during the patrol and at a recovery time one month after. Whatever the time, no significant difference was found in mental health between groups. There are significant differences in the interoceptive, exteroceptive and physiological functioning during the patrol and at recovery time. To sum up, compared to the LPa group, the HPa maintains a higher level in psychosensory functioning during the patrol and at recovery but exhibits a decrease in Pa level. The HPa group has less adaptable HRV characteristics, less unpredictability and flexibility of cardiac biosignals while the LPa group increases them during the patrol and at recovery time. This dissociation between psychosensory and physiological adaptation suggests two treatment modalities for ICE environments. To our best knowledge, our results are the first to highlight the impact of physiological differences in the HRV profile on the adaptability of submariners. Further studies are needed to evaluate the negative emotional and cognitive effects of ICEs based on the cardiac profile. Artificial intelligence offers a promising future for maintaining high level of operational conditions. These future perspectives will not only allow submariners to be better prepared, but also to design feasible countermeasures that will help support analog environments that bring us closer to a trip to Mars.

Keywords: Adaptation, exteroception, HRV, ICE, interoception, SSBN.

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