The effect of boric acid on the vapour liquid equilibrium of aqueous potassium carbonate

Aqueous potassium carbonate has seen renewed interest as a viable solvent for pre and post combustion carbon capture and storage. However, slow reaction kinetics may require the addition of a rate promoter such as boric acid to improve efficiency. The vapour liquid equilibrium of 30 weight percent potassium carbonate with 0, 3 and 5 weight percent boric acid was investigated at 50 and 70 °C using a dynamic inert gas stripping method. By estimating the boric acid reactions an Electrolyte-NRTL model was able to fit this data and literature results very closely.     

Phase equilibrium measurements of structure II clathrate hydrates of hydrogen with various promoters

Phase equilibrium measurements of single and mixed organic clathrate hydrates with hydrogen were determined within a pressure range of 2.0-14.0 MPa. The organic compounds studied were furan, 2,5-dihydrofuran, tetrahydropyran, 1,3-dioxolane and cyclopentane. These organic compounds are known to form structure II clathrate hydrates with water. It was found that the addition of hydrogen to form a mixed clathrate hydrate increases the stability compared to the single organic clathrate hydrates. Moreover, the mixed clathrate hydrate also has a much higher stability compared to a pure hydrogen structure II clathrate hydrate. Therefore, the organic compounds act as promoter materials. The stabilities of the single and mixed organic clathrate hydrates with hydrogen showed the following trend in increasing order: 1,3-dioxolane < 2,5-dihydrofuran < tetrahydropyran < furan < cyclopentane, indicating that both size and geometry of the organic compound determine the stability of the clathrate hydrates.     

单斜BiVO4可见光催化降解甲基橙的形貌效应

以硝酸铋和偏钒酸铵为无机源,NaOH为pH值调节剂,三嵌段共聚物P123为表面活性剂,采用醇-水热法制备了多种形貌的单斜BiVO4.利用X射线衍射、N2吸脱附、扫描电子显微镜、X射线光电子能谱和紫外可见光漫反射等技术表征了其物化性质,并考察了这些BiVO4样品在可见光照射下降解甲基橙的催化活性.结果表明,表面活性剂和溶...     

Phase equilibria study of systems composed of refined babassu oil, lauric acid, ethanol, and water at 303.2 K

Deacidification of vegetable oils can be performed using liquid–liquid extraction as an alternative method to the classical chemical and physical refining processes. This paper reports experimental data for systems containing refined babassu oil, lauric acid, ethanol, and water at 303.2 K with different water mass fractions in the alcoholic solvent (0, 0.0557, 0.1045, 0.2029, and 0.2972). The dilution of solvent with water reduced the distribution coefficient values, which indicates a reduction in the loss of neutral oil. The experimental data were used to adjust the NRTL equation parameters. The global deviation between the observed and the estimated compositions was 0.0085, indicating that the model can accurately predict the behavior of the compounds at different levels of solvent hydration.     

Na+，K+//Br-，SO42--H2O四元体系323 K相平衡研究

采用等温溶解平衡法研究了四元体系Na⁺,K⁺//Br^-,SO₄^2--H₂O在323 K的相平衡关系,测定了该体系323 K的溶解度及平衡液相的密度,绘制了该体系的相图。研究发现：平衡体系存在复盐钾芒硝Na₂SO₄·3K₂SO₄的结晶区。其相图由3个共饱和点,7条单变量曲线和5个结晶区组成。相区分别对应NaBr·2H₂O、Na₂SO₄、K₂SO₄、KBr和Na₂SO₄·3K₂SO₄结晶区。其中复盐钾芒硝Na₂SO₄·3K₂SO₄,Na₂SO₄和K₂SO₄有较大结晶区,而NaBr·2H₂O和KBr有较小结晶区。对比了等温条件下四元体系Na⁺,K⁺//Cl^-,SO₄^2--H₂O相平衡结果。实验结果表明溴化物对硫酸盐有较强盐析作用。     

从原子到大分子体系的计算机模拟——计算化学50年

本文综述并修订了从20世纪50年代末至今,我们在计算化学领域所做的一些有意义的工作。序言部分把我们的工作置于当代科学的背景之下。然后我们以一种经典的基准测试体系——一种新的单粒子表象（即替代传统的原子和分子自旋轨道的化学自旋轨道）所构建的氢分子（H2）波函数——作为开始。用Hartree-Fock-Heitler-Lo...     

Study on tribological behaviors of short glass fiber and polytetrafluoroethylene reinforced polycarbonate composites via a d‐optimal mixture design

This study analyzed variations of tribological behaviors that depend on the injection molding techniques during the blending of short glass fiber (SGF) and polytetrafluoroethylene (PTFE) reinforced polycarbonate (PC) composites. The proposed planning of blending experiments is to use a D‐optimal mixture design (DMD). The tribological behaviors of friction coefficient and wear mass loss were selected for discussion. Nine experimental runs, based on a DMD method, utilized to train the back‐propagation neural network (BPNN) and then the simulated annealing algorithm (SAA) approach is applied to search for an optimal mixture ratio setting. In addition, the result of BPNN integrating SAA was also compared with response surface methodology (RSM) approach. The results of confirmation experiment show that DMD, RSM, and BPNN integrating SAA method are effective tools for the optimization of reinforced process. Furthermore, the scanning electron microscope (SEM) images show that the abundant debris are peeled off from the matrix materials and predominant delamination mechanisms and plastic deformation are shown on the worn surface after tribological behavior tests. Copyright © 2010 John Wiley & Sons, Ltd.     

Discounted dynamic programming with unbounded returns: Application to economic models

In this paper, we study discounted Markov decision processes on an uncountable state space. We allow a utility (reward) function to be unbounded both from above and below. A new feature in our approach is an easily verifiable rate of growth condition introduced for a positive part of the utility function. This assumption, in turn, enables us to prove the convergence of a value iteration algorithm to a solution to the Bellman equation. Moreover, by virtue of the optimality equation we show the existence of an optimal stationary policy.     

Hybrid approximation of solutions of nonlinear operator equations and application to equation of Hammerstein-type

In this paper we study hybrid iterative scheme for finding a common element of set of solutions of generalized mixed equilibrium problem, set of common fixed points of finite family of weak relatively nonexpansive mapping and null spaces of finite family of γ-inverse strongly monotone mappings in a 2-uniformly convex and uniformly smooth real Banach space. Our results extend, improve and generalize the results of several authors which are announced recently. Application of our theorem to solution of equations of Hammerstein-type is of independent interest.     

Nonmonotone algorithm for minimax optimization problems

Many real life problems can be stated as a minimax optimization problem, such as the problems in economics, finance, management, engineering and other fields. In this paper, we present an algorithm with nonmonotone strategy and second-order correction technique for minimax optimization problems. Using this scheme, the new algorithm can overcome the difficulties of the Maratos effect occurred in the nonsmooth optimization, and the global and superlinear convergence of the algorithm can be achieved accordingly. Numerical experiments indicate some advantages of this scheme.