Modelling of the extraction equilibrium of zinc from chloride solutions with tri-n-octylphosphine oxide

The extraction of zinc from chloride solutions with tri-n-octylphosphine oxide (TOPO) dissolved in benzene has been thermodynamically studied based on the law of mass action. A model employing the simplified Pitzer equations for stoichiometric activity coefficient estimations is found to be effective for the explanation and prediction of the distribution data, and the thermodynamic extraction constant is determined as log K_et = 5.16 ± 0.11 at 20°C.     

会计信息失真现象的博弈分析

在对现实进行合理假定的基础上建立了会计信息失真现象的有限完美信息动态博弈模型，并利用后退归纳法找到了五个满足不同条件的纳什均衡解。通过对均衡条件的分析，找出了导致会计信息失真的治理结构原因和法律制度因素，并提出了建设性的解决措施。     

Phase equilibrium in solutions of star-shaped macromolecules: an improved Okada-Numasawa model

The two-region Okada-Numasawa model for solutions of star-shaped polymers has been improved by means of a change in the integration order and introduction of a concentration-dependent and molar-mass-dependent Flory-Huggins interaction parameter (the second and third approximations of the Flory-Huggins theory). To overcome calculation difficulties, a special algorithm for computing coexistence curves of polymeric systems with an UCST has been used. The agreement between the experimental and calculated coexistence curves for the star-shaped polystyrene (PS)-cyclohexane system has been improved: the difference between T_cs is ∼0.33 K against ∼12 K as given by the original model.     

Calcium addition in straw gasification

The present work focuses on the influence of calcium addition in gasification. The inorganic-organic element interaction as well as the detailed inorganic-inorganic elements interaction has been studied. The effect of calcium addition as calcium sugar/molasses solutions to straw significantly affected the ash chemistry and the ash sintering tendency but much less the char reactivity. Thermo balance test are made and high-temperature X-ray diffraction measurements are performed, the experimental results indicate that with calcium addition major inorganic-inorganic reactions take place very late in the char conversion process. Comprehensive global equilibrium calculations predicted important characteristics of the inorganic ash residue. Equilibrium calculations predict the formation of liquid salt if sufficient amounts of Ca are added and according to experiments as well as calculations calcium binds silicon primarily as calcium silicates and less as potassium calcium silicates.     

Trace element evaporation during coal gasification based on a thermodynamic equilibrium calculation approach

Thermodynamic equilibrium calculations using the HSC-Chemistry program were performed to determine the distribution and mode of occurrence of potentially toxic and corrosive trace elements in gases from coal gasification processes. The influence of temperature, pressure and gas atmospheres on equilibrium composition was evaluated. In these reducing conditions, the behaviour of the trace elements is complex, but some form of organization can be attempted. Elements were classified into three groups. Group A includes those elements that, according to thermodynamic data at equilibrium, could probably be condensed in coal gasification. Mn is classified in this group. Group B contains those elements that could be totally or partially in gas phase in gas cleaning conditions, and can be divided into two subgroups, depending on whether the cleaning conditions are hot or cold. Co, Be, Sb, As, Cd, Pb, Zn, Ni, V, Cr are elements in this group. Group C contains those elements that could be totally in gas phase in all the possible conditions, including flue gas emissions. Se, Hg and B are the elements that make up this group.     

Thermodynamic state of reinforced interpenetrating polymer networks

The free energies of mixing of two networks in the interpenetrating polymer network based on crosslinked polyurethane and poly(ester acrylate) have been determined by the vapour sorption method. It was established that the constituent networks in the IPN are not miscible. The introduction of fillers of different chemical nature increases the compatibility. The thermodynamic affinity of the fillers to the individual networks and IPN was estimated. It was established that when the free energy of interaction of one or both components of the IPN with the filler is negative, reinforcement leads to the formation of a compatible and equilibrium system. For fillers having no affinity to the polymers, compatibilization is observed, which is connected with slowing down of phase separation in the system in the presence of filler.     

2，6-萘二甲酸二甲酯在有机溶剂中溶解度的测定与关联

Solubility of dimethyl-2,6-naphthalene dicarboxylate in acetic acid, N,N-dimethylfonnamide, N,N-dimethyl acetamide, dimethyl sulphoxide, and N-methyl-2-ketopyrrolidine were determined using a dynamic method. The measured systems were correlated by UNIFAC group contribution method. A new main group （aromatic ester, ACCOO） was defined to express the activity coefficients of the aromatic ester. New interaction parameters of the ACCOO group were expressed as the first-order function of temperature and were determined from the experimental data. The calculated results for the new interaction parameters were satisfactory. The measured systems were also correlated with the Wilson and 2-h models, and the results were compared with those of the UNIFAC model.     

D_2EHDTPA萃取铟的热力学研究

报道了用二 (2 乙基己基 )二硫代磷酸为萃取剂 ,以正庚烷为稀释剂萃取铟的热力学研究。在In2 (SO4 ) 3+Na2 SO4 +D2 EHDTPA +n C7H1 6 +H2 O体系中 ,在温度 2 78.15～ 3 0 3 .15K和离子强度 0 .1～ 2 .0mol·kg- 1 范围内 ,以Na2 SO4 为支持电解质 ,测定了萃取平衡水相中In3+浓度和pH值。计算了萃取反应的标准平衡常数K0 ,并得到经验公式logK0 =43 .93 -5 3 68.5 4 T -0 .0 699T ,同时计算了萃取反应的其他热力学量 ,并指出了焓和熵都是此萃取过程的推动力     

Computation of Bearing Capacity Factor Nγ?Terzaghi’s Mechanism

A procedure based on K?tter’s equation is developed for the evaluation of bearing capacity factor Nγ with Terzaghi’s mechanism. Application of K?tter’s equation makes the analysis statically determinate, in which the unique failure surface is identified using force equilibrium conditions. The computed Nγ values are found to be higher than Terzaghi’s value in the range 0.25–20%, with a diverging trend for higher values of angle of soil internal friction. A fairly good agreement is observed with other solutions which are based on finite difference coupled with associated flow rule, limit analysis, and limit equilibrium. Finally, the comparison with available experimental results vis-à-vis other solutions shows that, computed Nγ values are capable of making a reasonably good prediction.     

Pareto multi-criteria decision making

The paper concerns design governed by multiple objective criteria, which are conflicting in the sense of competing for common resources to achieve variously different performance objectives (financial, functional, environmental, esthetical, etc.). A multi-criteria decision making (MCDM) strategy is proposed that employs a tradeoff-analysis technique to identify compromise designs for which the competing criteria are mutually satisfied in a Pareto-optimal sense. The MCDM strategy is initially developed for the case of design governed by n = 2 objective criteria. It is then extended to design governed by n > 2 objective criteria, by introducing the concept of primary and aggregate criteria. It is proved that, from among the theoretically infinite number of feasible designs forming the Pareto front for a design problem governed by n independent objective criteria, there exists a unique Pareto-compromise design that represents a mutually agreeable tradeoff between all n criteria. This remarkable result is illustrated for a flexural plate design governed by n = 2 criteria, a bridge maintenance-intervention protocol design governed by n = 3 criteria, and a media centre envelop design governed by n = 11 criteria.