Three-year performance of in-situ mass stabilised contaminated site soils using MgO-bearing binders

This paper provides physical and chemical performances of mass stabilised organic and inorganic contaminated site soils using a new group of MgO-bearing binders over 3 years and evaluated the time-dependent performance during the 3 years. This study took place at a contaminated site in Castleford, UK in 2011, where MgO, ground granulated blastfurnace slag (GGBS) and Portland cement (PC) were mixed with the contaminated soils in a dry form using the ALLU mass mixing equipment. Soil cores were retrieved 40-day, 1-year and 3-year after the treatment. The core quality, strength, and the leaching properties were determined via physical observation, unconfined compressive strength (UCS) and batch leaching tests. After 3-year treatment, the UCS values of ALLU mixes were in the range of 50–250 kPa; the leachate concentrations of Cd, Pb, Cu and Zn (except Ni) in all mixes were lower than their drinking water standards; and the leachability of total organics was in the range of 10–105 mg/L. No apparent degradation of the mass stabilised materials after 3 years’ exposure to the field conditions was found. MgO-GGBS blends were found able to provide higher strength and less leachability of contaminants compared to PC and MgO-only mixes in mass stabilised soils

Thermochemical properties of small oxygenated sulfur hydrocarbons and kinetics - reaction pathways of methylthiomethyl radical with oxygen

The thermochemical properties on CH3SCH2OOH and the corresponding two radicals resulting from loss of H atom: CH3SCH2OO and CH2SCH2OOH are important to understand the stability, reaction paths and kinetics of reactions of dimethyl sulfide and other sulfur hydrocarbons (sulfides) in the atmosphere and combustion processes. Thermochemical properties for species and transition states in the methylthiomethyl radical (CH3SCH2) + O2 reaction system are analyzed to evaluate reaction paths and kinetics under these conditions. Isodesmic working reaction are employed to determine the enthalpies of formation (ΔHf°298) using density functional (B3LYP/6-3 1 1G(d,p)) and complete basis set extrapolation (CBS-QB3) computational methods. Entropy (S°298) and heat capacities CP(T) ( 300≤T/K≤1500) are determined using geometric parameters and vibration frequencies obtained at B3LYP/6-3 11 G(d,p) level of calculation. Quantum Rice-Ramsperger-Kassel(QRRK) analysis is used to calculate energy- dependent rate constants, k(E) and master equation is used to account for collisional stabilization of adduct and isomer. The methyithiomethyl radical adds to oxygen to form a methylperoxy racial with a 37.82 kcal/mol well depth. The peroxy radical can undergo dissociation back to reactants, isomerize via hydrogen shift (TS1, Ea=17.06kcal/mol) to form a hydroperoxide methyl radical CH2SCH2OOH, decompose via hydrogen transfer (TS2, Ea=37.79kcal/mol) to form CH3SC(=O)H plus OH radical , or the peroxy radical can also attack the sulfur atom via TS3 (Ea=32.92kcal/mol) to form CH3S(=O) + CH2O. The CH2SCH2OOH isomer can decompose via TS4 (Ea=24.O9kcal/mol) to form CH2O+CH2S+OH, or through a four-member ring transition state (TS5, Ea= 30.77kcal/mol) to form 1,3-Oxathietane + OH. Structures and thermochemical properties on Sulfenic Acids (RSOH R = CH3, CH3CH2, CH2=CH,) and their radicals are determined by CBS-QB3 calculation. Molecular structures and vibration frequencies are calculated at B3LYP/6-311G(d,p) levels. ΔHF°298, S°298 and C(T) for the concerned species are calculated in this study. Enthalpies of formation are determined using the ΔH°rxn(298) and known enthalpies in each of different working reactions. Contributions to entropy and heat capacity from internal rotation are also determined

Superactivation of monogamy relations for nonadditive quantum correlation measures

We investigate the general monogamy and polygamy relations satisfied by quantum correlation measures. We show that there exist two real numbers $\alpha$ and $\beta$ such that for any quantum correlation measure $Q$, $Q^x$ is monogamous if $x\geq \alpha$ and polygamous if $0\leq x\leq \beta$ for a given multipartite state $\rho$. For $\beta <x<\alpha$, we show that the monogamy relation can be superactivated by finite $m$ copies $\rho^{\otimes m}$ of $\rho$ for nonadditive correlation measures. As a detailed example, we use the negativity as the quantum correlation measure to illustrate such superactivation of monogamy properties. A tighter monogamy relation is presented at last

Monogamy relations of all quantum correlation measures for multipartite quantum systems

The monogamy relations of quantum correlation restrict the sharability of quantum correlations in multipartite quantum states. We show that all measures of quantum correlations satisfy some kind of monogamy relations for arbitrary multipartite quantum states. Moreover, by introducing residual quantum correlations, we present tighter monogamy inequalities that are better than all the existing ones. In particular, for multi-qubit pure states, we also establish new monogamous relations based on the concurrence and concurrence of assistance under the partition of the first two qubits and the remaining ones.Comment: arXiv admin note: text overlap with arXiv:1206.4029 by other author

Polygamy relations of multipartite entanglement beyond qubits

We investigate the polygamy relations related to the concurrence of assistance for any multipartite pure states. General polygamy inequalities given by the $\alpha$th $(0\leq \alpha\leq 2)$ power of concurrence of assistance is first presented for multipartite pure states in arbitrary-dimensional quantum systems. We further show that the general polygamy inequalities can even be improved to be tighter inequalities under certain conditions on the assisted entanglement of bipartite subsystems. Based on the improved polygamy relations, lower bound for distribution of bipartite entanglement is provided in a multipartite system. Moreover, the $\beta$th ($0\leq \beta \leq 1$) power of polygamy inequalities are obtained for the entanglement of assistance as a by-product, which are shown to be tighter than the existing ones. A detailed example is presented.Comment: arXiv admin note: text overlap with arXiv:1902.0744

Three-year performance of in-situ solidified/stabilised soil using novel MgO-bearing binders.

A new group of MgO-bearing binders has been developed recently which showed improved sustainability and technical performance compared to Portland cement (PC). However, the application of these MgO-bearing binders in the Solidification/Stabilisation (S/S) techniques is very limited. This study investigates the three-year performance of a highly contaminated soil treated by in-situ S/S using MgO-bearing binders and PC. The core quality, strength, permeability and the leaching properties of the S/S materials were evaluated. The effects of binder composition, addition of inorgano-organo-clay (IOC) and the grout content on the properties of the 3-y S/S materials are discussed. It is found that although MgO alone provided negligible strength to the soil, it is superior in immobilising both inorganic and organic contaminants. Replacing MgO by ground granulated blast-furnace slag (GGBS) significantly enhanced the strength while also performed well in immobilising the contaminants. The improved pH buffering capacity was attributed to the low solubilities of brucite and hydrotalcite-like phases formed in the MgO-bearing binders, and was also the reason for the improved performance in stabilising contaminants. The addition of IOC slightly decreased the strength and the permeability of the S/S materials but inconsistent effect on the contaminant immobilisation was found depending on the binder composition. This study showed no degradation of the S/S materials after 3 y exposure to field conditions and has proved the applicability and the advantages of MgO-bearing binders over PC in S/S.The authors are grateful to the funding from EPSRC (Grant No.: NMZJ/116 RG60240) to support this research. The samples were all retreived from a field trial sponsored by EPSRC/TSB (Grant No.: TP/5/CON/6/I/H0304E).This is the final version of the article. It first appeared from Elsevier via http://dx.doi.org/10.1016/j.chemosphere.2015.09.046 The data reported in this study can be accessed at: http://www.repository.cam.ac.uk/handle/1810/250325

Quantifying quantum coherence and non-classical correlation based on Hellinger distance

Quantum coherence and non-classical correlation are key features of quantum world. Quantifying coherence and non-classical correlation are two key tasks in quantum information theory. First, we present a bona fide measure of quantum coherence by utilizing the Hellinger distance. This coherence measure is proven to fulfill all the criteria of a well defined coherence measure, including the strong monotonicity in the resource theories of quantum coherence. In terms of this coherence measure, the distribution of quantum coherence in multipartite systems is studied and a corresponding polygamy relation is proposed. Its operational meanings and the relations between the generation of quantum correlations and the coherence are also investigated. Moreover, we present Hellinger distance-based measure of non-classical correlation, which not only inherits the nice properties of the Hellinger distance including contractivity, and but also shows a powerful analytic computability for a large class of quantum states. We show that there is an explicit trade-off relation satisfied by the quantum coherence and this non-classical correlation

Finer Distribution of Quantum Correlations among Multiqubit Systems

We study the distribution of quantum correlations characterized by monogamy relations in multipartite systems. By using the Hamming weight of the binary vectors associated with the subsystems, we establish a class of monogamy inequalities for multiqubit entanglement based on the $\alpha$th ($\alpha\geq 2$) power of concurrence, and a class of polygamy inequalities for multiqubit entanglement in terms of the $\beta$th ($0\leq \beta\leq2$) power of concurrence and concurrence of assistance. Moveover, we give the monogamy and polygamy inequalities for general quantum correlations. Application of these results to quantum correlations like squared convex-roof extended negativity (SCREN), entanglement of formation and Tsallis-$q$ entanglement gives rise to either tighter inequalities than the existing ones for some classes of quantum states or less restrictions on the quantum states. Detailed examples are presented