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1.
A fully coupled formulation combining reactive transport and an existing thermo-hydro-mechanical (THM) code is presented.
Special attention has been given to phenomena likely to be encountered in clay barriers used as part of containment systems
of nuclear waste. The types of processes considered include hydrolysis, complex formation, oxidation/reduction reactions,
acid/base reactions, precipitation/dissolution of minerals and cation exchange. Both kinetically-controlled and equilibrium-controlled
reactions have been incorporated. The total analytical concentrations (including precipitated minerals) are adopted as basic
transport variables and chemical equilibrium is achieved by minimizing Gibbs Free Energy. The formulation has been incorporated
in a general purpose computer code capable of performing numerical analysis of engineering problems. A validation exercise
concerning a laboratory experiment involving the heating and hydration of an expansive compacted clay is described. 相似文献
2.
Magnetization measurements in the (Dy
x
Y1−x
)Fe2 intermetallic compounds show evidence of blocking of domain wall motion. This effect is a function of concentrationx. The direction of magnetization is also dependent on the Dy concentration. We have used the Mossbauer spectroscopy of57Fe to verify the direction of magnetization in the series as a function ofx and temperature. The results show that this change in easy direction occurs at higher temperatures than those where the blocking
is detected through DC magnetization measurements.
supported by RHAE/SCT. 相似文献
3.
Studies on the complexation of copper(II) by phenolic acids, as ligand models of humic substances were done by potentiometry. The acids under study were: 3,4-dihydroxyhydrocinnamic acid or hydrocaffeic acid (1), 3,4-dihydroxyphenylacetic acid (2) and 3,4-dihydroxybenzoic acid or protocatechuic acid (3). Acidity constants of the ligands and the formation constants of metal-ligand complexes were evaluated by computer programs. The carboxylic group of the phenolic acids has different pKa1 values, being the dissociation constants intrinsically related with the distance between the function and the aromatic nucleus. The results obtained allow concluding that acidity constants of the catechol moiety of the compounds are similar with pKa2 and pKa3 values between 9.47-9.41 and 11.55-11.70. The complexation properties of the three ligands towards copper(II) ion are quite similar, being the species found not different either in nature or stability. Although the model ligands have some structural differences no significant differences were found in their complexation properties towards copper(II). So, it can be postulated that complexation process is intrinsically related with the presence of a catechol group. 相似文献
4.
Guimarães KL Castro RH Gouvêa D 《Langmuir : the ACS journal of surfaces and colloids》2005,21(25):11645-11650
The standard methods for obtaining adsorption isotherms on colloidal suspensions are usually very time consuming and involve a large number of steps and assumptions that increase the experimental errors. In this work, an alternative method is proposed to evaluate the adsorption behavior of electrosteric-stabilized systems based on electrokinetic sonic amplitude signal measurements. The new method, entitled "zeta-sorption", is noticeably less time-consuming when compared to conventional procedures but showed great precision and reliability confirmed by comparison with data obtained from conventional routes on alumina-polyacrylate and alumina-citric acid aqueous suspensions. The experimental conditions that restrict the applicability of the new method were identified and justified by discussing the possible ion exchanges. 相似文献
5.
6.
Zucolotto V Faceto AD Santos FR Mendonça CR Guimarães FE Oliveira ON 《The journal of physical chemistry. B》2005,109(15):7063-7066
The fabrication of varied molecular architectures in layer-by-layer (LbL) films is exploited to control the photoluminescence (PL) of poly(p-phenylene vinylene) (PPV) in an unprecedented way. This was achieved by controlling the F?rster energy transfer between PPV layers (donors) and layers of a commercial azodye, Brilliant Yellow (BY) (acceptors). Energy transfer was controlled by inserting spacer layers of inert polymers between PPV and BY layers and by photoaligning the BY molecules via trans-cis-trans isomerization. The PPV/BY LbL films displayed polarized PL whose intensity could be varied almost continuously by changing the time of photoalignment, which was carried out by impinging a linearly polarized laser light simultaneously to the PL experiments. For PPV/BY films with no spacer layers, PL was completely quenched, but its intensity increased with the number of spacing layers. Further increase in PL was obtained by photoaligning the BY molecules perpendicularly to the PPV molecules. This minimizes energy transfer, since F?rster processes are directional, dipole-dependent resonant transfers. Energy transfer is also controlled by imparting a preferential orientation of the PPV chains on PPV/BY LbL films deposited onto flexible Teflon substrates that may be stretched. 相似文献
7.
Nesković OM Veljković MV Velicković SR Petkovska LT Perić-Grujić AA 《Rapid communications in mass spectrometry : RCM》2003,17(3):212-214
Ionization energies of hypervalent Li(2)F, Li(2)Cl and Na(2)Cl molecules detected by surface ionization electron impact neutralization mass spectrometry are reported. The ionization energies were 3.78 +/- 0.2 eV for Li(2)F, 4.93 +/- 0.2 eV for Li(2)Cl, and 4.21 +/- 0.2 eV for Na(2)Cl. The ionization energies (IE) agree with theoretical ionization energies calculated by ab initio methods, supporting the theoretical prediction that Li(2)F has a hyperlithiated configuration in which the odd electron delocalizes over the two lithiums and with photoionization measurement. The first ionization energy of Na(2)Cl was experimentally confirmed earlier and for Li(2)Cl as well.8 We have developed and used this new approach for the problem--in the present work ions were first formed by surface ionization, followed by electron attachment (neutralization). 相似文献
8.
Jen Kit Tan Faris Hazwan Nazar Suzana Makpol Seong Lin Teoh 《Molecules (Basel, Switzerland)》2022,27(21)
Learning and memory are essential to organism survival and are conserved across various species, especially vertebrates. Cognitive studies involving learning and memory require using appropriate model organisms to translate relevant findings to humans. Zebrafish are becoming increasingly popular as one of the animal models for neurodegenerative diseases due to their low maintenance cost, prolific nature and amenability to genetic manipulation. More importantly, zebrafish exhibit a repertoire of neurobehaviors comparable to humans. In this review, we discuss the forms of learning and memory abilities in zebrafish and the tests used to evaluate the neurobehaviors in this species. In addition, the pharmacological studies that used zebrafish as models to screen for the effects of neuroprotective and neurotoxic compounds on cognitive performance will be summarized here. Lastly, we discuss the challenges and perspectives in establishing zebrafish as a robust model for cognitive research involving learning and memory. Zebrafish are becoming an indispensable model in learning and memory research for screening neuroprotective agents against cognitive impairment. 相似文献
9.
Goran Stegnjai Antonios D. Tsiailanis Milica Lazarevi Vasileios K. Gkalpinos Neda Djedovic Thomas Antoniou Suzana Stanisavljevi Mirjana Dimitrijevi Miljana Mom
ilovi ore Miljkovi Andreas G. Tzakos Bojan Jevti 《Molecules (Basel, Switzerland)》2022,27(24)
Gallic acid is a phenolic acid present in various plants, nuts, and fruits. It is well known for its anti-oxidative and anti-inflammatory properties. The phenethyl ester of gallic acid (PEGA) was synthesized with the aim of increasing the bioavailability of gallic acid, and thus its pharmacological potential. Here, the effects of PEGA on encephalitogenic cells were examined, and PEGA was found to modulate the inflammatory activities of T cells and macrophages/microglia. Specifically, PEGA reduced the release of interleukin (IL)-17 and interferon (IFN)-γ from T cells, as well as NO, and IL-6 from macrophages/microglia. Importantly, PEGA ameliorated experimental autoimmune encephalomyelitis, an animal model of chronic inflammatory disease of the central nervous system (CNS)—multiple sclerosis. Thus, PEGA is a potent anti-inflammatory compound with a perspective to be further explored in the context of CNS autoimmunity and other chronic inflammatory disorders. 相似文献
10.
Cristiane Antoniazzi Camila Alves de Lima Rafael Marangoni Almir Spinelli Eryza Guimarães de Castro 《Journal of Solid State Electrochemistry》2018,22(5):1373-1383
This paper reports the voltammetric determination of 17β-estradiol in urine and buttermilk samples using a simple detector based on a carbon paste electrode (CPE) modified with copper(II) oxide (CuO). The CuO was obtained by the Pechini method and characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), and energy-dispersive (EDS), Fourier transform infrared (FTIR), and Raman spectroscopies. Cyclic voltammetry (CV) and square-wave voltammetry (SWV) demonstrated that the CuO-modified carbon paste electrode (CuO/CPE detector) displayed much higher electrocatalytic activity in the 17β-estradiol oxidation reaction than the CPE without modification, exhibiting a low detection limit of 21.0 nmol L?1 with a wide linear range from 60.0 to 800.0 nmol L?1 (R = 0.998). Satisfactory results were obtained for the determination of 17β-estradiol in human urine and buttermilk samples. The proposed electrochemical detector offers high repeatability, stability, fast response, low cost, and potential for practical application in the quantification of this hormone. 相似文献