Snapshots of “crystalline” salt-water solutions of inositol hexaphosphate conformers

The first crystal structures of highly phosphorylated biomolecules, scyllo-inositol hexaphosphates, reveal important internal and interactive external roles with salt-water surroundings.

The Influence of Salts’ Presence in the Materials on their Moisture and Thermal Conductivity

Energy saving in buildings is largely determined by the energy efficiency of the external building envelopes. The latter, as a rule, are the multilayer and incorporate structural and heat-insulating layers. The presence of individual hygroscopic salts and their mixtures in building materials changes their physical and chemical properties. Due to the increase in the sorption properties of building materials and changes in the inter-pore substance composition, humidity increases and the heat-protective properties decrease. This paper presents the results of the experimental and theoretical studies on the salts’ effect assessment on the change in moisture content and thermal conductivity of building materials due to the salt solutions and crystals’ presence in the pore space. To study the saline building materials’ thermal conductivity, the mathematical modeling methods using the theory of flow and bringing the materials’ structure to a unit cell are used. It is shown that the change in thermal conductivity occurs due to the crystalline salt precipitation from the solutions in the material’s pores, to the changes in their initial chemical properties, to the changes in the properties of the vapor-air mixture above the salt solutions due to diffusion. The results obtained make it possible to establish the hygroscopic salts’ influence significance in solid and liquid phases on the building materials’ thermal conductivity. A scheme for determining the thermal conductivity of building materials is proposed, taking into account salt effects, including the determination of: the components’ volume concentrations; sequentially the thermal conductivity of the material’s shell; salt crystals, a solid phase consisting of the material’s shell and crystalline salt, a binary and multicomponent saline solution, the pore space and the pore substance inside. The general formula for determining the thermal conductivity of a saline building material is given.

Quantum Chemical Computational Studies of Nitrogen Rich Energetic Organic Crystalline Salt: 2,4-Diamino-6-methyl-1,3,5-triazinium Trifluroacetate

An organic crystalline salt 2,4-diamino-6-methyl-1,3,5-triazinium trifluroacetate (DMTFA) has been imposed for experimental and theoretical investigation. Gaussian 09 program has been used to compute the quantum chemical theoretical calculations. DFT/B3LYP-6-311++G(d,p) approach is adapted to optimize the structure. Structural and vibrational studies have been carried out by this approach followed by the correlation of experimental and theoretical results. Natural bonding orbital analysis, molecular electrostatic potential and frontier molecular orbital investigations substantiates the charge transfer besides the presence of strong inter and intra molecular interactions. Apart from the three dimensional Hirshfeld surface analysis and two dimensional fingerprint maps provides profund vision about the intermolecular interactions between the molecules.

Application and Product Standard of Purified Crystalline Salt from Desulfurization Wastewater of Thermal Power Plant

：The shortage of water resources and the increasingly strict requirements of environmental protection make the zero discharge of waste water from thermal power plants imperative. The treatment of high salt desulfurization wastewater is the bottleneck of the application and promotion of "zero discharge" technology. The waste water zero discharge and resource recovery technologies such as salt separation and purification can be used to make sodium chloride crystal salt meeting the standards of "industrial salt" (GB/T 5462-2015) and sodium sulfate crystal salt meeting the standards of "industrial anhydrous sodium sulfate" (GB/T 6009-2014). However, due to the lack of related standards of certification index and certification method of crystal salt products, it is restricted to realize resource recovery as commodities. In this paper, the application field and product standard of purified crystalline salt from desulfurization wastewater are analyzed.