Evaluation of a complete HPLC solvent optimization system involving piece-wise quadratic modelling

Summary Interpretive methods are accepted to give the best possible results for selectivity optimization in HPLC. However the methods are very complex, and most work so far has been detailed academic studies. This paper describes an evaluation of a complete integrated system incorporating peak labelling, modelling of retention behaviour and calculation of response surfaces, with particular emphasis on the retention modelling. The peak labelling section has been discussed previously.A piece-wise quadratic function is investigated for the modelling of retention times across an isoeluotropic plane to effect selectivity optimization in HPLC. This requires 10 data-points on the isoeluotropic plane. The predicted global optimum and local optima are evaluated by comparison of calculated and experimental retention data, for a nine component sample. Seven interstitial points, distributed across the whole plane between the data-points, are similarly evaluated for a related sample. The typical error (in retention time) is less than 2%, often 1%, and the maximum error is 4.2%. At the global optimum the error was found be less than 1.3% for all 9 peaks.     

Spectroscopic and Quantum Mechanical Studies of Substituted Anilines and their Charge-Transfer Complexes with Iodine in Different Solvents

Summary. Equilibrium constants and molar extinction coefficients for 1:1 charge-transfer complexes between 2-hydroxyaniline (HA), 5-chloro-2-hydroxyaniline (CHA), and 4-bromo-2,6-dimethylaniline (BMA) as donors and iodine, as a typical σ-acceptor were determined spectrophotometrically in chloroform, dichloromethane, and carbontetrachloride solutions. Spectral characteristics and formation constants are discussed in terms of donor molecular structure and solvent polarity. The stoichiometry of the complexes was established to be 1:1. For this purpose, optical data were subjected to the form of the Rose-Drago equation for 1:1 equilibria. Electronic absorption spectra of the studied anilines were measured in different solvents. Spectral data were reported and band maxima were assigned to the appropriate molecular orbital transitions (π–π^* and n–π^* electronic transition). Solvent effects on the electronic transitions were discussed. Optimized geometry of the studied anilines was obtained at B3LYP/6-31 + G(d). The effect of the electronic factors of the substituents on the geometrical parameters of the ring has been explored. Geometrical values of the ring deviate from the regular hexagonal ring. Intramolecular H-bonds in HA and CHA have been computed at B3LYP/6-31 + G(d) and MP2/6-31 + G(d) levels. The H-bonding distance was calculated to be 2.105 ? in HA and 2.127 ? in CHA. Abstracted from her M.Sc. thesis     

On the statistical mechanics of the traveling salesman problem

We consider the statistical mechanics of the traveling salesman problem (TSP) and develop some representations to study it. In one representation the mean field theory has a simple form and brings out some of the essential features of the problem. It shows that the system has spontaneous symmetry breaking at any nonzero temperature. In general the phase progressively changes as one decreases the temperature. At low temperatures the mean field theory solution is very sensitive to any small perturbations, due to the divergence of some local susceptibilities. This critical region extends down to zero temperature. We perform the quenched average for a nonmetric TSP in the second representation and the resulting problem is more complicated than the infinite-range spin-glass problem, suggesting that the free energy landscape may be more complex. The role played by frustration in this problem appears explicitly through the localization property of a random matrix, which resembles the tight binding matrix of an electron in a random lattice.     

Optimization of the CIGS based thin film solar cells: Numerical simulation and analysis

Chalcopyrite Cu(In,Ga)Se (CIGS) is a very promising material for thin film photovoltaics and offers a number of interesting advantages compared to the bulk silicon devices. CIGS absorbers today have a typical thickness of about 1–2 μm. However, on the way toward mass production, it will be necessary to reduce the thickness even further. This paper indicates a numerical study to optimization of CIGS based thin film solar cells. An optimum value of the thickness of this structure has been calculated and it is shown that by optimizing the thickness of the cell efficiency has been increases and cost of production can be reduces. Numerical optimizations have been done by adjusting parameters such as the combination of band gap and mismatch as well as the specific structure of the cell. It is shown that by optimization of the considered structure, open circuit voltage increases and an improvement of conversion efficiency has been observed in comparison to the conventional CIGS system. Capacitance–voltage characteristics and depletion region width versus applied voltage for optimized cell and typical cell has been calculated which simulation results predict that by reducing cell layers in the optimized cell structure, there is no drastically changes in depletion layer profile versus applied voltage. From the simulation results it was found that by optimization of the considered structure, optimized value of CIGS and transparent conductive oxide thickness are 0.3 μm and 20 nm and also an improvement of conversion efficiency has been observed in comparison to the conventional CIGS which cell efficiency increases from 17.65 % to 20.34%, respectively.     

The optimal path of piston motion for Otto cycle with linear phenomenological heat transfer law

An Otto cycle engine with internal and external irreversibilities of friction and heat leakage, in which the heat transfer between the working fluid and the environment obeys linear phenomenological heat transfer law [q ∝△(T -1)], is studied in this paper. The optimal piston motion trajectory for maximizing the work output per cycle is derived for the fixed total cycle time and fuel consumed per cycle. Optimal control theory is applied to determine the optimal piston trajectories for the cases of with and w...     

Investigation on optimization design of equivalent water depth truncated mooring system

The oil industry is now increasingly concentrating their efforts and activities in connection with developing fields in deeper waters, ranging typically from 500 m to 3000 m worldwide. However, the modeling of a full-depth system has become difficult presently; no tank facility is sufficiently large to perform the testing of a complete FPS with compliant mooring in 1000 m to 3000 m depth, within reasonable limits of model scale. Until recently, the most feasible procedure to meet this challenge seems to be the so-called “hybrid model testing technique”. To implement this technique, the first and important step is to design the equivalent water depth truncated mooring system. In this work, the optimization design of the equivalent water depth truncated mooring system in hybrid model testing for deep sea platforms is investigated. During the research, the similarity of static characteristics between the truncated and full depth system is mainly considered. The optimization mathematical model for the equivalent water depth truncated system design is set up by using the similarity in numerical value of the static characteristics between the truncated system and the full depth one as the objective function. The dynamic characteristic difference between the truncated and full depth mooring system can be minished by selecting proper design rule. To calculate the static characteristics of the mooring system, the fourth order Runge-Kutta method is used to solve the static equilibrium equation of the single mooring line. After the static characteristic of the single mooring line is calculated, the static characteristic of the whole mooring system is calculated with Lagrange numerical interpolation method. The mooring line material database is established and the standard material name and the diameter of the mooring line are selected as the primary key. The improved simulated annealing algorithm for continual & discrete variables and the improved complex algorithm for discrete variables are employed to perform the optimization calculation. The C++ programming language is used to develop the computer program according to the object-oriented programming idea. To perform the optimization calculation with the two algorithms mentioned above respectively and the better result is selected as the final one. To examine the developed program, an example of equivalent water depth truncated mooring system optimum design calculation on a 100,000-t, turret mooring FPSO in water depth of 320 m are performed to obtain the conformation parameters of the truncated mooring system, in which the truncated water depth is 160 m. The model test under some typical environment conditions are performed for both the truncated and the full depth system with model scale factor λ=80. After comparing the corresponding results from the test of the truncated system with those from the full depth system test, it’s found that the truncated mooring system design in this work is successful. Supported by the National Natural Science Foundation of China (Grant Nos. 10602055 and 40776007) and the Natural Science Foundation of China Jiliang University (Grant No. XZ0501)     

小功率高转速蒸汽透平试验研究和优化

小功率高转速蒸汽透平试验研究和优化邵振麒（同济大学汽车工程系上海２０００９２）关键词：小蒸汽透平，效率，优化１前言回收能量和工业装置的余热及利用太阳能等新能源是节能和环保的重要措施，由此产生的机械能可供发电，气体增压等多种用途。在一些废热量不大且不宜...     

Intelligent reversible watermarking technique in medical images using GA and PSO

The advances in recording, editing, and broadcasting multimedia contents in digital form motivate to protect these digital contents from illegal use, such as duplication, manipulation, and redistribution. However, watermarking algorithms are designed to satisfy requirements of applications, as different applications have different concerns. We intend to design a watermarking algorithm for applications which require high embedding capacity and imperceptibility, to maintain the integrity of the host signal as well as embedded information. Reversible watermarking is a promising technique which satisfies our requirements. In this paper, we concentrate on improving the watermark capacity and reducing the perceptual degradation of an image. We investigated the Luo's [1] additive interpolation-error expansion algorithm and enhanced it by incorporating with two intelligent techniques: genetic algorithm (GA), and particle swarm optimization (PSO). Genetic algorithm is applied to exploit the correlation of image pixel values to obtain better estimation of neighboring pixel values, which results in optimal balance between information storage capacity and imperceptibility. Particle swarm optimization (intelligent technique) is also applied for the same purpose. Experimental results show that PSO and GA nearly give the same results, but GA outperforms the PSO. Experimental results also reveal that the proposed strategy outperforms the state of art works in terms of perceptual quality and watermarking payload.     

Multi-objective optimization of inverse planning for accurate radiotherapy

The multi-objective optimization of inverse planning based on the Pareto solution set, according to the multi-objective character of inverse planning in accurate radiotherapy, was studied in this paper. Firstly,the clinical requirements of a treatment plan were transformed into a multi-objective optimization problem with multiple constraints. Then, the fast and elitist multi-objective Non-dominated Sorting Genetic Algorithm (NSGA-Ⅱ)was introduced to optimize the problem. A clinical example was tested using this method. The results show that an obtained set of non-dominated solutions were uniformly distributed and the corresponding dose distribution of each solution not only approached the expected dose distribution, but also met the dosevolume constraints. It was indicated that the clinical requirements were better satisfied using the method and the planner could select the optimal treatment plan from the non-dominated solution set.