Effect of thermodynamic parameters on prediction of phase behavior and process design of extractive distillation

Extractive distillation was investigated for separation of the minimum azeotrope of n-propanol/water, via the Aspen Plus simulation platform. Experimental data of n-propanol/water, which could pass the thermodynamic consistency test, were regressed to get suitable binary interaction parameters(BIPs) by the UNIQUAC thermodynamic model. The azeotrope system was heterogeneous in the simulation with built-in BIPs, which was contrary to the experimental data. The study focused on the effect of thermodynamic parameters on the prediction of phase behavior, and process design of extractive distillation. N-methyl-2-pyrrolidone(NMP) and ethylene glycol were used as solvents to implement the separation. Processes with built-in and regressed BIPs were explored,based on the minimum total annual cost(TAC). There were significant differences in the phase behavior simulation using different thermodynamic parameters, which showed the importance of BIPs in the design and optimization of extractive distillation.

Prediction of Volumetric Properties(p-v-T)of Natural Gas Mixtures Using Extended Tao-Mason Equation of State

A statistical-mechanical-based equation of state(EOS)for pure substances,the Tao-Mason equation of state,is successfully extended to prediction of the(p-v-T)properties of fourteen natural gas mixtures at temperatures from 225 K to 483 K and pressures up to 60.5 MPa.This work shows that the Tao-Mason equation of state for multicomponent natural gas is predictable with minimal input information,namely critical temperature,critical pressure,and the Pitzer acentric factor.The calculated results agree well with the experimental data.From a total of 963 data of density and 330 data of compressibility factor for natural gases examined in this work,the average absolute deviations(AAD)are 1.704%and 1.344%,respectively.The present EOS is further assessed through the comparisons with Peng-Robinson(PR)equation of state.For the all of mixtures Tao-Mason(TM)EOS outperforms the PR EOS.

Application of Homotopy-Newton Hybrid Method for Predicting Azeotropes

A homotopy-Newton hybrid method is proposed for predicting azeotropes, in which the set of homotopy equations with larger convergent domain is solved firstly to generate the better initial guess, then Newton algorithm is used to solve the azeotrope equations. It has been proved through some illustrative examples that the hybrid method has concurrently the advantages of the wide range of convergence, flexible demand for initial guess and good smoothness of iterative process as the homotopy algorithm, and the rapid convergent speed and high accuracy as Newton′s method. So the hybrid method is a prospective approach to predicting the azeotropes of nonideal mixtures.

Prediction of Critical Endpoints Based on the PR Equation of State

In the design of chemical processes,such as catalytic cracking of bitumen and heavy oil,the knowledge of phase behavior at the critical endpoint is essential.Based on the PR equation of state,the algorithm developed by Heidemann and Khalil for calculating critical properties was used to compute critical points.An algorithm for determining the equilibrium phase of the critical point using the tangent plane criterion was developed,and was used to calculate the critical endpoints of different mixtures,including non-polar,polar and associating systems.The critical endpoint,representing the type of the phase behavior,was employed to fit the interaction parameter of mixtures in critical state at high pressure.Lines of critical endpoints for ternary mixtures were also determined with the algorithm.

Prediction of Phase Behavior for Styrene/CO2/Polystyrene Mixtures

A lattice fluid model, Sanchez-Lacombe equation, is used to predict the phase behavior for a styrene/CO2/polystyrene ternary sys-tem. The binary parameters involved in the equation were optimized using experimental data. Phase diagrams and the distribution coefficients of styrene between polymer phase and fluid phase are obtained over a wide range of pressure, temperature and composition. The analysis of ter-nary phase diagrams indicates that this system at relatively high pressure or low temperature may display two-phase equilibrium, and at low pressures or high temperatures three-phase equilibrium may appear. The distribution coefficients of styrene between the fluid phase and the polymer phase increase asymptotically to unity when the concentration of styrene increases. The results provide thermodynamic knowledge for further exploitation of supercritical carbon dioxide assisted devolatilization and impregnation.

Gradient Step Method to Predict the Ozone Solubility in Water

In this work it presents a strategy to obtain the ozone solubility in water by gradient step method. In this methodology, the ozone in mixture with oxygen is bubbling in a reactor with distilled water at 21℃ and pH 7. The ozone concentration on gas phase is continually increased after the saturation is reached. The method proposed is faster than conventional method （isocratic method）. The solubility from the gradient method is compared with that values obtained from correlations founded in the literature.

Influence of Hydrothermal Pre-Treatment of Coal Fly on the Synthesis of Belite Phase

In this paper, the results of an extensive investigation of hydrothermal pre-treatment for synthesizing belite phase from reactive mixtures （CaO/SiO2 molar ratio of 2） consisting of one waste kinds （bottom ash-BA or fly ash-FA） from fluidised brown coal combustion in Slovakian power plant and CaO （analytical grade reagent） addition are summarized. Changes in structure and phase composition of hydrothermally synthesized belite precursors and subsequent calcinated products were compared with those of starting mixtures. Based on XRD diffraction patterns, the formation of the new profiles corresponding to CSH phases with low degree of ordering as belite precursors after hydrothermal treatment was confirmed. Calcination of hydrotermally treated products at 900℃ led to transformation of CSH phases to wollastonite, belite and gehlenite phase. Differences in phase composition of products before and after calcination depend upon waste quality and precursor＇s synthesis conditions. Bottom ash isn＇t suitable as raw material for synthesizing belite phase because of high CaO content fixed in anhydrite form （44.1%）. Coal fly ash with low CaO content in anhydrite form （4.2%） and its hydrothermal treatment in combination with subsequent heating offer opportunities for the utilization of coal fly ash as raw material for belite production.

水性多组分涂料的施工新方法

水性多组分涂料组成物特别是水性双组分涂料组成物是在施工前配制，使两种或两种以上分别贮存的组分以一定比例预混合。预混合比例取决于水性多组分涂料组成物的交联反应化学当量，这些组分，即基料和交联剂应分别贮存以防止发生预雾化交联反应。

Clinical research of acupoint application for "treatment of winterdisease in summer" used to prevent and treat bronchial asthma inchildren

OBJECTIVE:To preliminarily analyze key factors influencing curative effect through clinical observations of acupoint application for "treatment of win-ter disease in summer" used to prevent and treat bronchial asthma in children.METHODS:In an observational study and prospective cohort study,we observed children in remission of asthma at three class Ⅲ grade A TCM hospitals in Liaoning,Hubei,and Chengdu.RESULTS:A total of 609 children conformed to diagnostic and inclusive standards for remission of bronchial asthma.Through follow-up visits,we observed their skin reactions and the time and chance of treatment with different therapies in the three hospitals;we also compared and analyzed different drugs,acupoints,and preparations.We found that the key Chinese drugs were Bai Jie Zi(Semen Sinapis Albae) and Yian Hu Suo(Rhizoma Corydalis);the key acupoints were Feishu(BL 13),Gaohuang(BL 43),Dingchuan(EX-B1),Tiantu(CV 22),and Shanzhong(CV 17);and the best preparation was a mixture of drugs,ginger juice,and musk.Acupoint application was practiced on the hottest days of summer and the coldest days of winter for 0.5 to 2 h with the lowest rate of asthma relapse.CONCLUSIONS:The present data analysis shows that the curative effect of acupoint application for "treatment of winter disease in summer" may be influenced by recipes of Chinese drugs,preparations,prescriptions of acupoints,chance,time,and skin reactions.A curative effect is the result of the comprehensive action of these factors.

Prediction of vapor-liquid-liquid-hydrate phase equilibrium for multicomponent systems containing tetrahydrofuran

Numbers of hydrate-based new techniques require the algorithm to be able to perform multiphase flash calculation where one phase is a gas hydrate phase.Tetrahydrofuran(THF)is frequently used as a thermodynamic promoter in the development of hydrate-based technique,which can reduce the hydrate formation pressure,especially when methane or hydrogen exists.However,it is a hard work to describe accurately the phase behavior of THF-water system due to their polarities.It has been proved that the water-in-oil(W/O)emulsion can raise the hydrate formation rate and improve the single stage separation efficiency,and furthermore prevent the hydrate from agglomeration to plug the facilities.The goal of this work is to present an extension of our previous work to the prediction of the vapor-liquid-liquid-hydrate equilibrium of such complex systems.These include ternary and quaternary mixtures with W/O emulsion containing THF.The proposed algorithm of four phase equilibrium calculation is very simple due to avoiding the complexity of simultaneous solution of the sophisticated equation group.The calculation results were found to be in satisfactory agreement with the experimental data.