Comprehensive utilization of complex rubidium ore resources:Mineral dissociation and selective leaching of rubidium and potassium

Currently,the process of extracting rubidium from ores has attracted a great deal of attention due to the increasing application of rubidium in high-technology field.A novel process for the comprehensive utilization of rubidium ore resources is proposed in this paper.The process consists mainly of mineral dissociation,selective leaching,and desilication.The results showed that the stable silicon–oxygen tetrahedral structure of the rubidium ore was completely disrupted by thermal activation and the mineral was completely dissociated,which was conducive to subsequent selective leaching.Under the optimal conditions,extractions of 98.67% Rb and 96.23%K were obtained by leaching the rubidium ore.Moreover,the addition of a certain amount of activated Al(OH)_(3) during leaching can effectively inhibit the leaching of silicon.In the meantime,the leach residue was sodalite,which was successfully synthesized to zeolite A by hydrothermal conversion.The proposed process provided a feasible strategy for the green extraction of rubidium and the sustainable utilization of various resources.

Activated dissociation of H_(2) on the Cu(001)surface:The role of quantum tunneling

The activation and dissociation of hydrogen molecules(H_(2))on the Cu(001)surface are studied theoretically.Using first-principles calculations,the activation barrier for the dissociation of H_(2) on Cu(001)is determined to be~0.59 eV in height.It is found that the electron transfer from the copper substrate to H_(2) plays a key role in the activation and breaking of the H–H bond,and the formation of the Cu–H bonds.Two stationary states are identified at around the critical height of bond breaking,corresponding to the molecular and the dissociative states,respectively.Using the transfer matrix method,we also investigate the role of quantum tunneling in the dissociation process along the minimum energy pathway(MEP),which is found to be significant at or below room temperature.At a given temperature,the tunneling contributions due to the translational and the vibrational motions of H_(2) are quantified for the dissociation process.Within a wide range of temperature,the effects of quantum tunneling on the effective barriers of dissociation and the rate constants are observed.The deduced energetic parameters associated with the thermal equilibrium and non-equilibrium(molecular beam)conditions are comparable to experimental data.In the low-temperature region,the crossover from classical to quantum regime is identified.

Investigation on small molecule-aptamer dissociation equilibria based on antisense displacement probe

Food safety is a major issue to public health and have attracted global attention.Fast,sensitive,and reliable detection methods for food hazardous substances is highly desirable.Aptamers which can bind to the target molecules with high affinity and specificity represent an attractive tool for the recognition of food hazardous substances,which play an important role in the development and application of new food safety detection technology.But current assays for characterizing small molecule-aptamer binding are limited by either the mass sensitivity or the size differentiation ability.Herein,we proposed a comprehensive method for assessing the dissociation equilibria of small molecule-aptamer,which is immobilized-free under ambient conditions.The design employs the Le Chatelier’s principle and could be used to effectively measure small molecule-aptamer interactions.ATP binding aptamer and anti-aflatoxin B1 aptamer were used as the model system to determine their affinity,in which their dissociation equilibria measurements are in excellent close to their previous work.Due to the simplicity and sensitivity of this new method,we believe that it could be recommended as an effective tool for characterizing small molecule-aptamer interactions and promote the further application of small molecular aptamer in food safety.

An Experimental Observation of the Thermal Effects and NO Emissions during Dissociation and Oxidation of Ammonia in the Presence of a Bundle of Thermocouples in a Vertical Flow Reactor

Ammonia (NH3) dissociation and oxidation in a cylindrical quartz reactor has been experimentally studied for various inlet NH3 concentrations (5%, 10%, and 15%) and reactor temperatures between 700 K and 1000 K. The thermal effects during both NH3 dissociation (endothermic) and oxidation (exothermic) were observed using a bundle of thermocouples positioned along the central axis of the quartz reactor, while the corresponding NH3 conversions and nitrogen oxides emissions were determined by analysing the gas composition of the reactor exit stream. A stronger endothermic effect, as indicated by a greater temperature drop during NH3 dissociation, was observed as the NH3 feed concentration and reactor temperature increased. During NH3 oxidation, a predominantly greater exothermic effect with increasing NH3 feed concentration and reactor temperature was also evident;however, it was apparent that NH3 dissociation occurred near the reactor inlet, preceding the downstream NH3 and H2 oxidation. For both NH3 dissociation and oxidation, NH3 conversion increased with increasing temperature and decreasing initial NH3 concentration. Significant levels of NOX emissions were observed during NH3 oxidation, which increased with increasing temperature. From the experimental results, it is speculated that the stainless-steel in the thermocouple bundle may have catalysed NH3 dissociation and thus changed the reaction chemistry during NH3 oxidation.

Simulating the Effect of Hydrate Dissociation on Wellhead Stability During Oil and Gas Development in Deepwater

It is well known that methane hydrate has been identified as an alternative resource due to its massive reserves and clean property. However, hydrate dissociation during oil and gas development(OGD) process in deep water can affect the stability of subsea equipment and formation. Currently, there is a serious lack of studies over quantitative assessment on the effects of hydrate dissociation on wellhead stability. In order to solve this problem, ABAQUS finite element software was used to develop a model and to evaluate the behavior of wellhead caused by hydrate dissociation. The factors that affect the wellhead stability include dissociation range, depth of hydrate formation and mechanical properties of dissociated hydrate region. Based on these, series of simulations were carried out to determine the wellhead displacement. The results revealed that, continuous dissociation of hydrate in homogeneous and isotropic formations can causes the non-linear increment in vertical displacement of wellhead. The displacement of wellhead showed good agreement with the settlement of overlying formations under the same conditions. In addition, the shallower and thicker hydrate formation can aggravate the influence of hydrate dissociation on the wellhead stability. Further, it was observed that with the declining elastic modulus and Poisson's ratio, the wellhead displacement increases. Hence, these findings not only confirm the effect of hydrate dissociation on the wellhead stability, but also lend support to the actions, such as cooling the drilling fluid, which can reduce the hydrate dissociation range and further make deepwater operations safer and more efficient.

Numerical Study on Dissociation of Gas Hydrate and Its Sensitivity to Physical Parameters

The natural gas hydrate resource is tremendous. How to utilize the gas from hydrates safely is researchers＇ concern. In this paper, a one-dimensional model is developed to simulate the hydrate dissociation by depressurization in hydratebearing porous medinm. This model can De used to explain the effects of the flow of multiphase fluids, the endothermie process of hydrate dissociation, the variation of permeability, the convection and conduction on the hydrate dissociation. Numerical results show that the hydrate dissociation can be divided into three stages： a rapid dissociation stage mainly governed by hydrate dissociation kinetics after an initially slow dissociation stage governed mainly by flow, and finally a slow dissociation stage. Moreover, a numerical approach of sensitivity analysis of physical parameters is proposed, with which the quantitative effect of all the parameters on hydrate dissociation can be evaluated conveniently.

Mechanical properties of gas hydrate-bearing sediments during hydrate dissociation

The changes in the mechanical properties of gas hydrate-bearing sediments(GHBS) induced by gas hydrate(GH) dissociation are essential to the evaluation of GH exploration and stratum instabilities. Previous studies present substantial mechanical data and constitutive models for GHBS at a given GH saturation under the non-dissociated condition. In this paper, GHBS was formed by the gas saturated method, GH was dissociated by depressurization until the GH saturation reached different dissociation degrees. The stress–strain curves were measured using triaxial tests at a same pore gas pressure and different confining pressures. The results show that the shear strength decreases progressively by 30%–90% of the initial value with GH dissociation, and the modulus decreases by 50% –75%. Simplified relationships for the modulus, cohesion, and internal friction angle with GH dissociated saturation were presented.

Methane hydrate formation and dissociation in synthetic seawater

The formation and dissociation of methane gas hydrate at an interface between synthetic seawater （SSW） and methane gas have been experimentally investigated in the present work. The amount of gas consumed during hydrate formation has been calculated using the real gas equation. Induction time for the formation of hydrate is found to depend on the degree of subcooling. All the experiments were conducted in quiescent system with initial cell pressure of 11.14 MPa. Salinity effects on the onset pressure and temperature of hydrate formation are also observed. The dissociation enthalpies of methane hydrate in synthetic seawater were determined by Clausius-Clapeyron equation based on the measured phase equilibrium data. The dissociation data have been analyzed by existing models and compared with the reported data.

Dissociation characteristics of methane hydrate using depressurization combined with thermal stimulation

Methane hydrate is considered as a potential energy source in the future due to its abundant reserves and high energy density.To investigate the influence of initial hydrate saturation,production pressure,and the temperature of thermal stimulation on gas production rate and cumulative gas production percentage,we conducted the methane hydrate dissociation experiments using depressurization,thermal stimulation and a combination of two methods in this study.It is found that when the gas production pressures are the same,the higher the hydrate initial saturation,the greater change in hydrate reservoir temperature.Therefore,it is easier to appear the phenomenon of icing and hydrate reformation when the hydrate saturation is higher.For example,the reservoir temperature dropped to below zero in depressurization process when the hydrate saturation was about 37%.However,the same phenomenon didn’t appear as the saturation was about 12%.This may be due to more free gas in the reservoir with hydrate saturated of 37%.We also find that the temperature variation of reservoir can be reduced effectively by combination of depressurization and thermal stimulation method.And the average gas production rate is highest with combined method in the experiments.When the pressure of gas production is 2 MPa,compared with depressurization,the average of gas production can increase 54%when the combined method is used.The efficiency of gas production is very low when thermal stimulation was used alone.When the temperature of thermal stimulation is 11℃,the average rate of gas production in the experiment of thermal stimulation is less than 1/3 of that in the experiment of the combined method.

DISLOCATION DISSOCIATIONS AND FAULTENERGIES IN Ni_3Al ALLOYS DOPED WITH PALLADIUM

Dislocation structures in polycrystalline Ni 3Al alloy doped with palladium deformed at room temperature have been investigated by transmission electron microscopy. The structure consists mainly of dislocations dissociated into a /2〈011〉 super partials bounding an anti phase boundary (APB). Dislocations dissociated into a /3〈112〉 super Shockley partials bounding a superlattice intrinsic stacking fault (SISF) are also common debris. The majority of the SISFs are truncated loops, i.e. the partials bounding the SISF are of similar Burgers vector. These faulted loops are generated from APB coupled dislocations, according to a mechanism for formation of SISFs proposed by Suzuki et al , and recently modified by Chiba et al . The APB energies for {111} and {010} slip planes are measured to be 144±20 mJ/m 2 and 102±11 mJ/m 2 respectively, and the SISF energy has been estimated to be 12 mJ/m 2 in this alloy. It is concluded that the dislocation structure in Ni 74.5 Pd 2Al 23.5 alloy deformed at room temperature is similar to that in binary Ni 3Al, and the difference in fault energies between these two alloys is small. Thus, it seems unlikely that the enhancement of ductility of Ni 74.5 Pd 2Al 23.5 results from only such a small decrease of the ordering energy of the alloy. SISF bounding dislocations also have no apparent influence on the ductilization of Ni 74.5 Pd 2Al 23.5 alloy.

Overview of the detection methods for equilibrium dissociation constant KD of drug-receptor interaction

Drug-receptor interaction plays an important role in a series of biological effects, such as cell pro- liferation, immune response, tumor metastasis, and drug delivery. Therefore, the research on drug-re- ceptor interaction is growing rapidly. The equilibrium dissociation constant （KD） is the basic parameter to evaluate the binding property of the drug-receptor. Thus, a variety of analytical methods have been established to determine the KD values, including radioligand binding assay, surface plasmon resonance method, fluorescence energy resonance transfer method, affinity chromatography, and isothermal ti- tration calorimetry. With the invention and innovation of new technology and analysis method, there is a deep exploration and comprehension about drug-receptor interaction. This review discusses the differ- ent methods of determining the KD values, and analyzes the applicability and the characteristic of each analytical method. Conclusively, the aim is to provide the guidance for researchers to utilize the most appropriate analytical tool to determine the KD values.

A DFT Study on the Stable Structures and Dissociation Mechanism of C_3O_6 Cluster

Using geometrical optimization and DFT method at the B3LYP/6-31G （d） level, nineteen equilibrium geometries were identified, and three transition states of dissociation reaction of C3O6 clusters were also found. The vibrational frequencies and intrinsic reaction coordinate （IRC） verification at the same level were computed to verify the transitions. And then we calculated the dissociation energies and analyzed the dissociation channels. The computational results show that the dissociation energies of C3O6 isomers relative to three CO2 are between 1.509 × 103 and 10.61 × 10^3 kJ·kg^-1, and the energy barriers of the reactions are 92.857, 131.138 and 185.793 kJ·mol^-1. Both the high dissociation energies and high energy barriers show that C3O6 clusters studied in this paper are stable enough to be used as high-energy-density materials.

H_2-induced CO adsorption and dissociation over Co/Al_2O_3 catalyst

The activation of adsorbed CO is an important step in CO hydrogenation. The results from TPSR of pre-adsorbed CO with H2 and syngas suggested that the presence of H2 increased the amount of CO adsorption and accelerated CO dissociation. The H2 was adsorbed first, and activated to form H＊ over metal sites, then reacted with carbonaceous species. The oxygen species for CO2 formation in the presence of hydrogen was mostly OH^＊, which reacted with adsorbed CO subsequently via CO^＊＋OH^＊ → CO2^＊＋H^＊; however, the direct CO dissociation was not excluded in CO hydrogenation. The dissociation of C-O bond in the presence of H2 proceeded by a concerted mechanism, which assisted the Boudourd reaction of adsorbed CO on the surface via CO^＊＋2H^＊ → CH^＊＋OH^＊. The formation of the surface species （CH） from adsorbed CO proceeded as indicated with the participation of surface hydrogen, was favored in the initial step of the Fischer-Tropsch synthesis.

Numerical studies of hydrate dissociation and gas production behavior in porous media during depressurization process

In this study, a numerical model is developed to investigate the hydrate dissociation and gas production in porous media by depressurization. A series of simulation runs are conducted to study the impacts of permeability characteristics, including permeability reduction exponent, absolute permeability, hydrate accumulation habits and hydrate saturation, sand average grain size and irreducible water saturation. The effects of the distribution of hydrate in porous media are examined by adapting conceptual models of hydrate accumulation habits into simulations to govern the evolution of permeability with hydrate decomposition, which is also compared with the conventional reservoir permeability model, i.e. Corey model. The simulations show that the hydrate dissociation rate increases with the decrease of permeability reduction exponent, hydrate saturation and the sand average grain size. Compared with the conceptual models of hydrate accumulation habits, our simulations indicate that Corey model overpredicts the gas production and the performance of hydrate coating models is superior to that of hydrate filling models in gas production, which behavior does follow by the order of capillary coating〉pore coating〉pore filling〉capillary filling. From the analysis of tl/2, some interesting results are suggested as follows： （1） there is a ＂switch＂ value （the ＂switch＂ absolute permeability） for laboratory-scale hydrate dissociation in porous media, the absolute permeability has almost no influence on the gas production behavior when the permeability exceeds the ＂switch＂ value. In this study, the ＂switch＂ value of absolute permeability can be estimated to be between 10 and 50 md. （2） An optimum value of initial effective water saturation Sw,e exists where hydrate dissociation rate reaches the maximum and the optimum value largely coincides with the value of irreducible water saturation Swr,e. For the case of Sw,e〈,Swr,e, or Sw,e〉Swr,e, there are different control mechanisms dominating the process of hydrate dissociation and gas production.

Methane hydrate formation and dissociation behaviors in montmorillonite

The methane hydrate formation and the methane hydrate dissociation behaviors in montmorillonite are experimentally studied. Through the analyses of the microstructure characteristic, the study obtains the porous characteristic of montmorillonite. It is indicated that methane hydrate in montmorillonite forms the structure I (si) crystal. Meanwhile, molecular dynamics simulation is carried out to study the processes of the methane hydrate formation and the methane hydrate dissociation in montmorillonite. The microstructure and microscopic properties are analyzed. The methane hydrate formation and methane hydrate dissociation mechanisms in the montmorillonite nanopore and on the montmorillonite surface are expounded. Combining the experimental and simulating analyses, the results indicate the methane hydrate formation and methane hydrate dissociation processes have little influence upon the crystal structure of porous media from either micro- or macro-analysis. It is beneficial to the fundamental researches on the exploitation and security control technologies of natural gas hydrate in deep-sea sediments.

Dissociations of O_2 molecules on ultrathin Pb(111) films:first-principles plane wave calculations

Using first-principles calculations, we systematically study the dissociations of 02 molecules on different ultrathin Pb（lll） films. According to our previous work revealing the molecular adsorption precursor states for O2, we further explore why there are two nearly degenerate adsorption states on Pb（lll） ultrathin films, but no precursor adsorption states existing at all on Mg（0001） and Al（lll） surfaces. The reason is concluded to be the different surface electronic structures. For the O2 dissociation, we consider both the reaction channels from gas-like and molecularly adsorbed O2 molecules. We find that the energy barrier for O2 dissociation from the molecular adsorption precursor states is always smaller than that from O2 gas. The most energetically favorable dissociation process is found to be the same on different Pb（lll） fihns, and the energy barriers are found to be influenced by the quantum size effects of Pb（lll） films.

Flat-plate hypersonic boundary-layer ?ow instability and transition prediction considering air dissociation

The effects of air dissociation on ?at-plate hypersonic boundary-layer ?ow instability and transition prediction are studied. The air dissociation reactions are assumed to be in the chemical equilibrium. Based on the ?at-plate boundary layer, the ?ow stability is analyzed for the Mach numbers from 8 to 15. The results reveal that the consideration of air dissociation leads to a decrease in the unstable region of the ?rst-mode wave and an increase in the maximum growth rate of the second mode. High frequencies appear earlier in the third mode than in the perfect gas model, and the unstable region moves to a lower frequency region. When the Mach number increases, the second-mode wave dominates the transition process, and the third-mode wave has little effect on the transition. Moreover, when the Mach number increases from 8 to 12, the N-factor envelope becomes higher, and the transition is promoted. However, when the Mach number exceeds 12, the N-factor envelope becomes lower, and the transition is delayed. The N-factor envelope decreases gradually with the increase in the altitude or Mach number.

Ab initio calculations of accurate dissociation energy and analytic potential energy function for the second excited state B^1∏ of ^7LiH

The reasonable dissociation limit of the second excited singlet state B1∏ of ^7LiH molecule is obtained. The accurate dissociation energy and equilibrium geometry of the B^∏ state are calculated using a symmetry-adaptedcluster configuration interaction method in full active space. The whole potential energy curve for the B1H state is obtained over the internuclear distance ranging from about 0.10 nm to 0,54 nm, and has a least-square fit to the analytic Murrell-Sorbie function form. The vertical excitation energy is calculated from the ground state to the B^1∏ state and compared with previous theoretical results. The equilibrium internuclear distance obtained by geometry optimization is found to be quite different from that obtained by single-point energy scanning under the same calculation condition. Based on the analytic potential energy function, the harmonic frequency value of the B^1∏ state is estimated. A comparison of the theoretical calculations of dissociation energies, equilibrium interatomic distances and the analytic potential energy function with those obtained by previous theoretical results clearly shows that the present work is more comprehensive and in better agreement with experiments than previous theories, thus it is an improvement on previous theories.