Effect of water hardness on the interaction of cationic dye with anionic surfactants

ABSTRACT

The effect of water hardness causing ions on the critical micelle concentration (cmc) of surfactants was studied using conductivity measurement. Spectrophotometric and conductometric studies of dye and surfactant interaction under the influence of water hardness causing ions were also investigated. It was found that with increasing hardness in water, cmc of the surfactants tends to decrease. The change in the colour of the solution was observed as the degree of hardness increases. Hardness of water can consider as a major contributor of fading or change in colour during washing and cleaning of dyed material. Dye in a surfactant solution containing varying amount of hardness causing ions undergoes a blue shift in the visible region and red shift in ultraviolet region. The comparison between sodium dodecylsulphate (SDS) and saponin natural surfactant showed that turbidity was observed only in the aqueous solution of SDS in the presence of very hard water.     

Pair vs many-body potentials: Influence on elastic and plastic behavior in nanoindentation of fcc metals

Molecular-dynamics simulation can give atomistic information on the processes occurring in nanoindentation experiments. In particular, the nucleation of dislocation loops, their growth, interaction and motion can be studied. We investigate how realistic the interatomic potentials underlying the simulations have to be in order to describe these complex processes. Specifically we investigate nanoindentation into a Cu single crystal. We compare simulations based on a realistic many-body interaction potential of the embedded-atom-method type with two simple pair potentials, a Lennard-Jones and a Morse potential. We find that qualitatively many aspects of nanoindentation are fairly well reproduced by the simple pair potentials: elastic regime, critical stress and indentation depth for yielding, dependence on the crystal orientation, and even the level of the hardness. The quantitative deficits of the pair potential predictions can be traced back: (i) to the fact that the pair potentials are unable in principle to model the elastic anisotropy of cubic crystals and (ii) as the major drawback of pair potentials we identify the gross underestimation of the stable stacking fault energy. As a consequence these potentials predict the formation of too large dislocation loops, the too rapid expansion of partials, too little cross slip and in consequence a severe overestimation of work hardening.     

Strategies for computing chemical reactivity indices

 Two recent articles [(2000) J Am Chem Soc 122: 2010, (2001) J Am Chem Soc 123: 2007] have explored electron-density-based and external-potential-based chemical reactivity indices. In this article, methods are presented for computing these indices from the output of a Kohn–Sham density functional theory calculation. Received: 18 October 2000 / Accepted: 4 April 2001 / Published online: 9 August 2001     

Relationship between solvation energy, chemical potential and hardness variations

Starting from a density functional theory (DFT) formalism describing the energy change from one ground state representing an isolated solute, to another one representing the same solute in the field of the solvent, it is possible to obtain a simple and useful expression for the solvation energy in terms of the variation of the electronic chemical potential and global hardness associated to the change from gas to solution phase. Since both properties may be obtained from an orbital theory within the approximate Self Consistent Reaction Field (SCRF) methodology, the proposed model is expected to be useful for the analysis of chemical reactivity in solution.     

Analysis of Solvent Effect on Mechanical Properties of Poly(ether ether ketone) Using Nano-indentation

Poly (ether ether ketone)(PEEK) is a high-performance semi-crystalline thermoplastic polymer.Exposure of the polymeric surface to solvents can have a strong effect like softening/swelling of polymeric network or dissolution.In this study, nano-indentation analysis was performed to study the effect of acetone on the surface mechanical properties of PEEK using different exposure time.The experiments were performed with a constant loading rate (10 nm/s) to a maximum indentation displacement (1000 nm).A 30-second hold segment was included at the maximum load to account for any creep effects followed by an unloading segment to 80% unloading.The indentation hardness and the elastic modulus were computed as a continuous function of the penetration displacement in the continuous stiffness mode (CSM) indentation.The experimental data showed that the peak load decreased from ~5.2 mN to ~1.7 mN as exposure time in solvent environment increased from 0 to 18 days.The elastic modulus and the hardness of PEEK samples also displayed a decreasing trend as a function of exposure time in the solvent environment.Two empirical models were used to fit the experimental data of hardness as a function of exposure time which showed a good agreement with the experimental values.     

Nanoindentation of regenerated cellulose fibres

Nanoindentation was performed on cross sections of regenerated cellulose fibres with different structure and properties. Same as in single-fibre tensile tests, the elastic modulus of lyocell was higher than the elastic modulus of viscose. However, in spite of its tensile strength being twice as high as viscose, the hardness of lyocell was 15% lower than viscose. The overall degree of orientation of cellulose chains being higher in lyocell than in viscose, it is proposed that reduced lateral bonding in lyocell is the reason for the low hardness measured by nanoindentation compared to viscose.     

异构现象与最大硬度原理

利用原子-键电负性均衡方法计算了700多个异构体的硬度, 通过与标准生成焓所确定的相对稳定性比较后发现, 多数异构体并不遵守最大硬度原理.     

Minimizing the sum of weighted completion times in a concurrent open shop

We study minimizing the sum of weighted completion times in a concurrent open shop. We give a primal-dual 2-approximation algorithm for this problem. We also show that several natural linear programming relaxations for this problem have an integrality gap of 2. Finally, we show that this problem is inapproximable within a factor strictly less than 6/5 if P≠NP, or strictly less than 4/3 if the Unique Games Conjecture also holds.