常压下丙醛-水-甘油体系汽液平衡测定与关联

采用单循环汽液平衡釜测定了常压条件下丙醛-水的二元以及丙醛-水-甘油三元汽液平衡数据。运用MATLAB中求解非线性最小二乘法问题的函数Lsqnonli,结合丙醛-水的二元汽液平衡实验据,迭代出了Margules、Vanlaar、Wilson和UNIQAC四个方程的二元模型参数。通过计算值和实验值的比较,Wilson方程的相对误差均小于5%,故选择Wilson方程为本体系的适合模型。将测定的丙醛-水-甘油三元汽液平衡数据与模型参数带入Wilson方程求得的三元汽液平衡数据相比较,相对误差均小于5%,由此验证了本文Wilson模型参数的可靠性。本文的测定结果和计算结果为丙醛-水-甘油体系的萃取精馏模拟选择了合适的模型,关联得到的Wilson模型参数,为萃取精馏过程的模拟计算打下基础,同时也为丙醛和水混合液的有效分离提供了一定基础数据。     

甲酸-水-N-甲基吡咯烷酮体系等压汽液平衡的研究

在常压下测试甲酸-水、甲酸-N-甲基吡咯烷酮、水-甲酸-N-甲基吡咯烷酮的汽液平衡数据。考虑甲酸在汽相中的缔合效应,用维里方程和Hayden-O'connell关联式修正了汽相的非理想性,并用非线性最小二乘法关联前2对二元体系的汽液平衡数据,得NRTL和Wilson方程的模型参数。以NRTL模型参数预测三元体系汽液平衡数据,温度平均偏差为1.76℃,甲酸的汽相平均偏差为0.032 2,水的汽相平均偏差为0.040 4;以Wilson模型参数预测三元体系汽液平衡数据,温度平均偏差为1.66℃,甲酸的汽相平均偏差为0.027 5,水的汽相平均偏差0.011 6,可见2个模型预测值均与实验值吻合良好,而Wilson模型的关联精度较高。     

基于UNIFAC模型的碳酸二甲酯-甲醇-恒沸剂三元体系汽液平衡数据的推算

运用Visual Basic计算机语言，用UNIFAC方程模拟推算了碳酸二甲酯－甲醇－恒沸剂（分别为正己烷、环己烷、正庚烷、正辛烷）三元体系在常压下的汽液平衡。为采用恒沸精馏法分离DMC与甲醇共沸体系提供了汽液平衡数据。     

盐-水-乙醇-乙二醇体系汽液平衡的预测

电解质溶液汽液平衡的预测和计算是是热力学的一个重要研究领域,是加盐萃取精馏模拟计算的重要基础,精 确的推算电解质溶液的汽液平衡数据有着十分重要的理论和实际意义。本文改进了计算电解质溶液汽液平衡的LI- QUAC模型,用计算水-乙醇-乙二醇体系汽液平衡更为精确的NRTL模型代替lIQUAC模型中的UNIFAC模型来计 算溶剂分子间相互作用对超额Gibbs自由能的影响,并据此推算出两种盐-水-乙醇-乙二醇体系的汽液平衡数据, 与本文实验数据及文献数据比较,结果比较满意。该模型对电解质溶液汽液平衡的进一步研究以及加盐萃取精馏的工 程计算均具有一定的指导意义。     

相平衡和平衡级分离专用计算软件VB设计

本软件系统包括4个子系统：（1）平衡数据关联子系统－含Van Laar,Margules,NRTL,UNIQUAC和Wilson模型以及Antione常数回归方程；（2）精馏子系统－含间歇精馏，普通精馏和萃取精馏；（3）液液萃取子系统－包括无水和含水溶剂体系；（4）数据库子系统－建成bpd.mdb数据文件，具有查询和管理各种烷烃，芳烃和溶剂等基础物性的功能。软件系统采用VB设计，界面友好，操作简便，可用于汽液和液液平衡数据模型参数的关联以及多元多级汽液和液液平衡级的分离计算。     

乙酸乙酯-乙醇-水-甘油体系中三元及四元体系的汽液平衡数据测定及推算

设计了液液平衡釜，测定乙酸乙酯-乙醇-甘油、乙酸乙酯-水-甘油及乙醇-水-甘油三元体系的VLE数据；以Wilson方程为平衡模型，由两对二元模型和三元体系的VLE实验数据关联第三对模型参数；测定乙酸乙酯-乙醇-水-甘油体系的VLE数据，由二元模型参数及三元体系的VLE实验数据计算乙酸乙酯-乙醇-水-甘油体系的VLE数据并与实验数据比较；本文测定结果及计算结果为乙酸乙酯-乙醇-水、乙酸乙酯-乙醇体系的萃取分离模拟计算及试验提供基础数据。     

乙烯基降冰片烯减压精馏系统的模拟与优化

汽相采用Virial方程,液相采用Wilson方程汽液平衡模型,对乙烯基降冰片烯（VNB）合成液减压精馏系统建立了复杂精馏塔的数学模型,采用严格的三对角矩阵法编制了适用于非理想完全互溶体系精馏塔模拟计算程序,经过模拟与优化计算,得到了达到分离要求（塔顶VNB含量≥99％）精馏塔最佳回流比、最适宜进料板序数、最佳全塔理论塔板数等的操作参数,模拟计算结果与实验结果相吻合,证明该模拟系统准确可靠,从而为乙烯基降冰片烯（VNB）合成液减压精馏系统工程设计提供了依据。     

含临界区流体混合物的统计缔合理论研究

含临界区流体混合物汽液平衡等热力学性质的研究是化工热力学的一个难题。本文用改进的统计缔合流体理论方程(SAFT-CP)^[1,2]结合范德华单流体混合规则(vdWl)计算了含临界点的二元混合物的汽液平衡。与原始的SAFT方程^[3/4]相比，SAFT-CP方程以非球形的硬体项作为参考流体，代替原来的硬球项，考虑了分子成链对色散作用的影响，对于极性流体，考虑了分子的偶极-偶极相互作用而忽略了缔合作用。本文计算的二元体系包括非极性-非极性体系：二氧化碳-丙烷、二氧化碳-丁烷和二氧化碳-戊烷，以及非极性～极性体系：硫化氢-戊烷、甲烷-丙酮和二氧化碳-甲醇。含临界点在内的计算结果与文献实验值符合很好，表明该方程适用于二元混合物含临界区的相平衡计算，具有广阔的应用前景。     

醋酸生产中混合酯的相平衡研究

南阳某化工厂在醋酸生产过程中产生的副产品混合酯中含有甲酸甲酯、甲酸乙酯、乙酸甲酯、乙酸乙酯等,难以分离,价值较低。该体系分离回收的前提是进行汽液平衡数据的测定。现利用沸点仪、阿贝折光仪测定了甲酸甲酯-甲酸乙酯-乙酸甲酯-乙酸乙酯混合液中的6组二元体系在常压下的汽液平衡数据,为萃取精馏分离该混合酯提供了基础数据。     

碳酸二乙酯-草酸二乙酯二元体系汽液平衡数据的测定与关联

测定了碳酸二乙酯草酸二乙酯二元体系常压汽液平衡数据，利用二元体系的汽液平衡实验数据，运用Visual Basic计算机语言，采用EOS γ法分别用Wilson和NRTL方程模拟计算了碳酸二乙酯-草酸二乙酯二元体系在常压下的汽液平衡并进行了关联，其平均偏差分别为0．0309和0．0201，并进行了热力学一致性检验，两种不同模型的计算结果与实验值都较为吻合，其中以NRTL拟合结果为更好。     

PVC膜碘离子选择电极的研制及对Ag~+的测定

以乙基紫与碘离子的缔合物（EVI）为电活性物质研制了PVC膜碘离子选抒电极、以正交试验法[1]确定传感膜的最佳组成．给出了电极响应斜率、线性响应范围、电极对I检测下限以及该电极测定Ag＋下限。     

环Fp+uFp+vFp上的(1+u+v)-循环码

常循环码是一类重要的线性码,由于其纠错性能易于分析,因而广泛应用于实践中,同时,利用有限环上常循环码还可以直接构造最优线性码。定义了有限非链环[Fp+uFp+vFp]上[(1+u+v)]-循环码的相关概念,讨论了其生成多项式;引入了一种新的Gray映射[?],证明了该环上[(1+u+v)]-循环码在此Gray映射[?]下的[p]元象是一个长为[2pn]的2-准循环码,并由此构造出了两个最优二元准循环码。     

环[F2+uF2+vF2]上的[(1+v)-]常循环码

研究了环[R=F2+uF2+vF2] 上的[(1+v)-]常循环码。利用环[R]上奇长循环码的生成元来刻画环[R]上奇长的[(1+v)-]常循环码,进而给出了[Rn]到[(F2+uF2)2n]的一个广义Gray映射[φ],证明了环[R]上的[(1+v)-]常循环码[C]在[φ]下的广义Gray像[φ(C)]是环[F2+uF2]上的循环码。     

基于Struts2+Ajax+JDBC的企业级Java Web架构

为提高Java技术在企业应用中的开发效率,缩短开发周期,减少开发成本,通过研究Struts2框架、JDBC协议以及Ajax异步刷新机制,依据MVC设计模式的思想,提出一种基于Struts2+Ajax+JDBC的企业级Web开发架构.通过某企业生产统计管理系统的信息发布模块,阐述了该架构中表示层、控制层、业务逻辑层和持久化层的实现过程.实践表明该架构具有良好的移植性、扩展性和维护性,降低了应用程序的复杂性和耦合度,提高了开发效率和用户体验.     

Phase-transfer energetics of small-molecule alcohols across the water-hexane interface: molecular dynamics simulations using charge equilibration models

We study the water-hexane interface using molecular dynamics (MD) and polarizable charge equilibration (CHEQ) force fields. Bulk densities for TIP4P-FQ water and hexane, 1.0086±0.0002 and 0.6378±0.0001 g/cm(3), demonstrate excellent agreement with experiment. Interfacial width and interfacial tension are consistent with previously reported values. The in-plane component of the dielectric permittivity (?(||)) for water is shown to decrease from 81.7±0.04 to unity, transitioning longitudinally from bulk water to bulk hexane. ?(||) for hexane reaches a maximum in the interface, but this term represents only a small contribution to the total dielectric constant (as expected for a non-polar species). Structurally, net orientations of the molecules arise in the interfacial region such that hexane lies slightly parallel to the interface and water reorients to maximize hydrogen bonding. Interfacial potentials due to contributions of the water and hexane are calculated to be -567.9±0.13 and 198.7±0.01 mV, respectively, giving rise to a total potential in agreement with the range of values reported from previous simulations of similar systems. Potentials of mean force (PMF) calculated for methanol, ethanol, and 1-propanol for the transfer from water to hexane indicate an interfacial free energy minimum, corresponding to the amphiphilic nature of the molecules. The magnitudes of transfer free energies were further characterized from the solvation free energies of alcohols in water and hexane using thermodynamic integration. This analysis shows that solvation free energies for alcohols in hexane are 0.2-0.3 kcal/mol too unfavorable, whereas solvation of alcohols in water is approximately 1 kcal/mol too favorable. For the pure hexane-water interfacial simulations, we observe a monotonic decrease of the water dipole moment to near-vacuum values. This suggests that the electrostatic component of the desolvation free energy is not as severe for polarizable models than for fixed-charge force fields. The implications of such behavior pertain to the modeling of polar and charged solutes in lipidic environments.     

Enthalpy of formation of liquid Cd+Ga+In+Sn, Cd+Ga+ln+Zn, Ga+ln+Sn+Zn and Cd+Ga+In+Sn+Zn alloys

Using a high temperature Calvet microcalorimeter, the molar enthalpy of formation of liquid quaternary and quinary alloys have been carried out at 730 K along several sections belonging to their barycenter. The well-known models for extrapolation ( Kohler, Muggianu, Toop, Hoch-Arpshofen and Mathieu ) adapted to the n-component systems have been used to predict the enthalpy of formation of the liquid systems : Cd+Ga+ln+Sn, Cd+Ga+ln+Zn, Ga+ln+Sn+Zn and Cd+Ga+In+Sn+Zn. Experimental and calculated results have been compared.     

自动售货机控制系统的设计与实现

采用VHDL语言设计实现的自动售货机控制系统具有投币处理、商品选择、退币找零、定时取消、按键消抖等主要功能。并设计了顶层原理图,通过EDA软件开发工具MAX+plusII,进行编译、仿真、适配,并下载到可编程逻辑器件FPGA中,通过实验开发系统GW48-CK进行硬件测试。仿真波形及硬件测试表明了整个设计的正确性与有效性。     

Phase diagrams and thermochemical modeling of salt lake brine systems. III. Li2SO4+H2O,Na2SO4+H2O,K2SO4+H2O,MgSO4+H2O and CaSO4+H2O systems

This paper is part of a series of studies on the development of a multi-temperature thermodynamically consistent model for salt lake brine systems. Under the comprehensive thermodynamic framework proposed in our previous study, the thermodynamic and phase equilibria properties of the sulfate binary systems (i.e., Li₂SO₄ + H₂O, Na₂SO₄ + H₂O, K₂SO₄ + H₂O, MgSO₄ + H₂O and CaSO₄ + H₂O) were simulated using the Pitzer-Simonson-Clegg (PSC) model. Various type of thermodynamic properties (i.e., water activity, osmotic coefficient, mean ionic activity coefficient, enthalpy of dilution and solution, relative apparent molar enthalpy, heat capacity of aqueous phase and solid phases) were collected and fitted to the model equations. The thermodynamic properties of these systems can be well reproduced or predicted using the obtained model parameters. Comparisons with the experimental or model values in literature indicate that the model parameters determined in this study can describe all of the thermodynamic and phase equilibria properties of these binary sulfate systems from infinite dilution to saturation and freezing point temperature to approx. 500 K.     

分隔精馏塔分离烷烃混合物的模拟

提出采用分隔精馏塔替代常规精馏塔分离烷烃混合物的新工艺。通过Aspen模拟和灵敏度分析,着重探讨分隔精馏塔中进料位置、回流比、连接流的位置、回流气液分配比等工艺参数对分离效果和热负荷的影响,并确定分隔精馏塔的最佳操作条件是。结果表明,分隔精馏塔单塔就能达到常规的烷烃分离要求,但是对精馏塔的控制要求更高。能耗分析表明分隔精壁塔工艺比传统的分离过程节能45%。     

Focus+Context visualization with distortion minimization

The need to examine and manipulate large surface models is commonly found in many science, engineering, and medical applications. On a desktop monitor, however, seeing the whole model in detail is not possible. In this paper, we present a new, interactive Focus+Context method for visualizing large surface models. Our method, based on an energy optimization model, allows the user to magnify an area of interest to see it in detail while deforming the rest of the area without perceivable distortion. The rest of the surface area is essentially shrunk to use as little of the screen space as possible in order to keep the entire model displayed on screen. We demonstrate the efficacy and robustness of our method with a variety of models.