Study of the High‐Pressure Vapour‐Liquid Equilibria for Strongly Non‐ideal Binary and Ternary Mixtures

High‐pressure vapour‐liquid equilibria for binary and ternary high polar and asymmetric systems are calculated using the Peng‐Robinson‐Stryjek‐Vera equation of state coupled with the Twu‐Coon (TWMR), the Orbey‐Sandler (OSMR) and the Wong‐Sandler (WSMR) mixing rules. Modified UNIFAC model is used for determining the activity coefficient and excess Gibbs free energy. The calculated results are compared with the experimental data and good agreement is observed. The average absolute deviation percents (AAD%)s indicated that the WSMR has less AAD% than other mixing rules in most of cases.     

抗氧剂3114合成反应热力学和动力学的研究

研究了常温溶剂法合成抗氧剂3114反应热力学和动力学过程。控制温度在117±2℃,研究结果表明,反应是零级反应,反应速率常数k=1.91×10-3/min,反应的平衡常数K=138.4(mol/L)-6,反应活化能Ea=1366.2J/mol。     

基于改进PSO的均衡性视角铁矿石运输—分配模型研究

为了使钢铁企业铁矿石供应与均衡生产匹配, 在分析库存均衡性及码头能力需求均衡性约束的基础上, 构建了基于均衡性约束的运输—分配模型。引入了一种通过位置越界处理、位置更新因子和全局最优位置未更新计数器的改进模拟退火粒子群优化算法。仿真实例表明, 该优化策略在保持较高全局搜索速度的前提下, 增强了全局寻优能力, 提高了收敛精度, 算法稳定性得到了显著改善。采用该粒子群算法应用于运输—分配模型的综合优化实例中验证了模型和算法的有效性。     

活性炭表面热氧化对其吸附二苯并噻吩性能影响

本文主要研究活性炭表面氧化对其吸附二苯并噻吩性能的影响。将活性炭在不同低温下氧化制得表面氧化活性炭，用静态吸附法进行了二苯并噻吩在初始及氧化活性炭上的吸附等温线，应用Langmuir方程对吸附等温线进行拟合，用漫反射红外谱（DRIFTS）表征活性炭表面含氧基团，用Boehm滴定测定活性炭表面官能团含量，讨论了活性炭表面化学性质对其吸附二苯并噻吩的影响。结果表明：活性炭表面酸性含氧基团对二苯并噻吩的吸附有重要影响，酸性含氧基团越多，其吸附量越大。低温气相氧化活性炭提高了活性炭表面酸性含氧基团，提高了其对二苯并噻吩的吸附。氧化温度越高，其表面含氧基团含量越多，其对二苯并噻吩的吸附量也越大。Langmuir吸附等温线可适用于描述二苯并噻吩在活性炭表面上的吸附。     

间二甲苯-磷酸-水三元体系的液-液相平衡

实验测定了不同温度下,间二甲苯-水二元体系和间二甲苯-磷酸-水三元体系的液-液相平衡数据。研究了磷酸中的杂质Fe~(3+)、Al~(3+)和Mg~(2+)对间二甲苯-磷酸-水三元体系相平衡的影响,以及杂质在两相中的分配情况。研究结果对共沸精馏浓缩磷酸提供了必要的理论依据和基础数据。     

汽液平衡计算与立方型状态方程

本文综述应用于汽液平衡计算的立方型状态方程的发展和研究动向。     

多孔催化剂效率因子的多组分扩散模型(Ⅴ) 表面中毒并伴有平衡死区圆柱状催化剂效率因子的有限元求解

针对表面中毒并伴有平衡死区二维圆柱状催化剂的反应-扩散偏微分方程组的特殊性,引入有限元方法求解该类问题,建立了求解步骤。实际计算所得效率因子与实验值对照表明,本法结果准确,过程简单,容易推广应用于各种相类似的体系。     

C_9 FK的表面活性测定

用吊片法和自制改进的最大泡压法分别测定了全氟庚氧基全氟亚乙基磺酸钾(C9FK)溶液的平衡和动态表面张力,计算得出该种表面活性剂形成胶束的标准热力学函数△Hmθ、△Smθ、△Gmθ分别为16．98 kJ／mol、218．29 J／mol·K、-48．22 kJ／mol。结合Word-Tordai方程,计算得到在不同条件下的表观扩散系数Da和吸附势垒Ea。实验证明,增大表面活性剂的浓度、降低温度、以及无机盐(NaCl)的加入都会使扩散系数减小,吸附势垒增大,从而不利于吸附的进行。当表面活性剂的浓度小于等于1×10-6 mol/L时,该体系属于扩散控制模型,而浓度大于 1×10-6 mol/L时,在吸附初期(t→O)属于扩散控制,后期均属于混合控制模型。     

Removal of Cd(II), Hg(II), and Pb(II) ions from aqueous solution using p(HEMA/chitosan) membranes

An interpenetration network (IPN) was synthesized from 2‐hydroxyethyl methacrylate (HEMA) and chitosan, p(HEMA/chitosan) via UV‐initiated photo‐polymerization. The selectivity to different heavy metal ions viz Cd(II), Pb(II), and Hg(II) to the IPN membrane has been investigated from aqueous solution using bare pHEMA membrane as a control system. Removal efficiency of metal ions from aqueous solution using the IPN membranes increased with increasing chitosan content and initial metal ions concentrations, and the equilibrium time was reached within 60 min. Adsorption of all the tested heavy metal ions on the IPN membranes was found to be pH dependent and maximum adsorption was obtained at pH 5.0. The maximum adsorption capacities of the IPN membrane for Cd(II), Pb(II), and Hg(II) were 0.063, 0.179, and 0.197 mmol/g membrane, respectively. The adsorption of the Cd(II), Hg(II), and Pb(II) metal ions on the bare pHEMA membrane was not significant. When the heavy metal ions were in competition, the amounts of adsorbed metal ions were found to be 0.035 mmol/g for Cd(II), 0.074 mmol/g for Hg(II), and 0.153 mmol/g for Pb(II), the IPN membrane is significantly selective for Pb(II) ions. The stability constants of IPN membrane–metal ions complexes were calculated by the method of Ruzic. The results obtained from the kinetics and isotherm studies showed that the experimental data for the removal of heavy metal ions were well described with the second‐order kinetic equations and the Langmuir isotherm model. © 2007 Wiley Periodicals, Inc. J Appl Polym Sci 2007     

Activity–Composition Relations of Chromium Oxide in Silicate Melts at 1500°C under Strongly Reducing Conditions

The solubility and activity–composition relations of chromium oxide in melts of the systems CaO–CrO _x –SiO₂ and CaO–Al₂O₃–CrO _x –SiO₂ have been determined at 1500°C by equilibrating melts with Pt–Cr alloys at known oxygen pressures. It is shown that the increase in the concentration of divalent chromium ions, as the oxygen pressure and the basicity of melt decrease, results in a dramatic increase in the solubility of chromium oxide in the liquid phase. An increase in the Al₂O₃ content of the melt leads to a decrease in the solubility of chromium oxide over the whole composition range studied. The activity coefficient of CrO has been found to increase with increasing melt basicity and decreasing oxygen pressure whereas the activity coefficient of CrO_1.5 decreases sharply with increasing melt basicity for siliceous melts but levels off at a basicity ratio (wt% CaO/wt% SiO₂) of about 0.7. An increase in the Al₂O₃ content of the melts results in an increase in the activity coefficient of CrO.