Modelling and optimisation of a transketolase-mediated carbon-carbon bond formation reaction

In this paper, we have integrated process characterisation and reaction kinetic data for a transketolase catalysed carbon-carbon bond formation to build a comprehensive reaction model. Based on the synthesis of erythrulose from β-hydroxypyruvate and glycolaldehyde, the model includes component degradation as a function of time and concentration as well as glycolaldehyde toxicity towards the enzyme. Using the ratio of initial substrate concentration as a process variable, simulations and analysis based on this model allowed process options to be evaluated. The model links bioconversion to upstream fermentation for enzyme production and downstream product purification and this could provide guidelines for process development.     

Reactively compatibilised polyamide6/ethylene-co-vinyl acetate blends: mechanical properties and morphology

Mechanical properties and morphological studies of compatibilised blends of PA6/EVA-g-MA and PA6/EVA/EVA-g-MA were studied as functions of maleic anhydride content (MA) and dispersed phase (EVA-g-MA) concentrations, respectively at blending composition of 20 wt% dispersed phase (EVA-g-MA or combination of EVA and EVA-g-MA). The maleic anhydride (MA) was varied from 1 to 6 wt% in the PA6/EVA-g-MA blend, whereas MA concentration was fixed at 2 wt% in the ternary compositions with varying level of EVA-g-MA. ATR-IR spectroscopy revealed the formation of in situ copolymer during reactive compatibilisation of PA6 and EVA-g-MA. It was found that notched Izod impact strength of PA6/EVA-g-MA blends increased significantly with MA content in EVA-g-MA. The brittle to tough transition temperature of reactively compatibilised blends was found to be at 23 °C. The impact fractured surface topology reveals extensive deformation in presence of EVA-g-MA whereas; uncompatibilised PA6/EVA blend shows dislodging of EVA domains from the matrix. Tensile strength of the PA6/EVA-g-MA blends increased significantly as compared to PA6/EVA blends. Analysis of the tensile data using predictive theories showed an enhanced interaction of the dispersed phase and the matrix. It is observed from the phase morphological analysis that the average domain size of the PA6/EVA-g-MA blends is found to decrease gradually with increase in MA content of EVA-g-MA. A similar decrease is also found to observe in PA6/EVA/EVA-g-MA blends with increase in EVA-g-MA content, which suggest the coalescence process is slower in presence of EVA-g-MA. An attempt has been made to correlate between impact strength and morphological parameters with regard to the compatibilised system over the uncompatibilised system.     

动态保压注射成型技术对PA6/EPDM-g-MA 共混物相形态与力学性能的影响

采用动态保压注塑成型技术来控制分散相相形态和橡胶粒子在基体中的取向排列.纯尼龙,动态样与静态样具有相同的冲击强度.在加入橡胶后,动态样与静态样的冲击强度变化趋势基本一致,在橡胶含量为20%t时,体系完成脆韧转变冲击强度达到最大,在橡胶含量为30%和40%时冲击强度又下降.但与静态样相比,当橡胶含量为10%t时,动态样与静态样的冲击强度一致,而当橡胶含量超过10%时,动态样的冲击强度较静态样高.结合平行于熔体流动方向的SEM照片,在橡胶含量为10%时,动态样中的橡胶粒子与静态样一样并未被拉长与取向,而在橡胶含量超过10%时,动态样剪切层中的橡胶粒子被拉长且沿熔体流动方向取向.实验表明,在改善共混物界面相容性的基础上,适当的低剪切应力场能进一步提高橡胶分散相对冲击强度的贡献.     

Analysis of cell aggregation in the culturing of cerebellar granule neurons

We have proposed previously that an increased concentration of growth factor secreted by neurons themselves has a direct effect on survival of the neurons, and thereby cell density serves as a regulator of survival of neurons. In this study, the same idea was used to analyze the aggregation of cerebellar granule neurons in culture experimentally and theoretically. Assuming the transport of growth factor and substrate within an aggregate is by molecular diffusion, the metabolic efficiency of neurons, on the basis of an autocatalytic phenomenon, was increased within an aggregate compared to an identical quantity of dispersed cells. A good agreement in the size of neuronal aggregate between the theoretical prediction and the experimental result was found. This illustrates that growth factors produced by neurons acting in either an autocrine or paracrine manner play an important role during the development of cultured neurons.     

Development of a comprehensive free radical photopolymerization model incorporating heat and mass transfer effects in thick films

A comprehensive kinetic model describing photopolymerization is developed which allows variation of temperature, species concentrations, and light intensity through the thickness of a photopolymerized film. Heat and mass transfer effects are included, as is the generation of heat by both reaction and light absorption. In addition to initiation, propagation, and termination mechanisms, both primary radical termination and inhibition are incorporated into the model. The possible presence and diffusion of an inert solvent are also accounted for. Thus, the model is useful for examining complex polymerization kinetics and behavior in industrially and commercially important thick film photopolymerizations, such as the curing of contact lenses, dental restorative materials, photolithographic resists, and optoelectronic coatings. The comprehensive model is used to predict polymerization rate, temperature, and conversion profiles in a variety of systems. The effects of heat generation and the thermal boundary conditions are explored, with the result that heat generation in thick samples leads to greatly increased conversions approaching 100 percent. Increased temperature in these samples also may lead to the appearance of two rate maxima, with the first due to the temperature increase and the second caused by the autoacceleration process. The magnitude of the temperature increase, along with the resultant effects, is more pronounced in insulated systems.     

Pore network model of deactivation of immobilized glucose isomerase in packed-bed reactors II: three-dimensional simulation at the particle level

Immobilized glucose isomerase is widely used for converting glucose to fructose by enzymatic isomerization. The process takes place in a packed-bed reactor consisting of mesoporous particles with distributed pore sizes and interconnectivities. Its efficiency is, however, significantly affected by deactivation of the mesoporous particles. In this paper, we study deactivation of the mesoporous particles using a three-dimensional pore network model of the pore space with distributed pore sizes and interconnectivities, and investigate several plausible mechanisms of deactivation of the porous particles. The results of the present study, which will be used as the input for simulation of the phenomenon at the reactor level, demonstrates the strong effect of the particles’ morphology on the deactivation process.     

Web交互模型的形式化验证研究

Web交互模型的形式化验证是对Web事件属性进行校验的十分可信的方法。通过一系列的系统模型建立、系统行为分析以及对于模型中关心属性的相关验证,能够让交互模型在设计阶段就能使形式化模型暴露出其所存在的缺陷,而不至于让缺陷保留到编码阶段或者更后面才能被真正地暴露出来,这样使系统模型的生存能力更加强大,同时避免了因后期缺陷暴露而出现的大代价修复。通过对Web系统的交互应用服务的过程模型化的体系进行研究,通过模型本身具有的属性进行相关正确性的校验,主要通过使用数学推理实现系统逻辑上的服务交互进程,从而进行过程的推演,并对系统服务的正确性进行过程的形式化验证,从而使系统服务模块的属性正确性可以通过逻辑上的演进来发现服务问题的存在,而不再是系统通过编码实现后才发现。对Web交互模型的形式化验证是基于IMWSC模型语义形成的IMWSC模型的验证机制。     

Modelling of batch fluidised bed drying of pharmaceutical granules

This paper presents a mathematical model based on a three-phase theory, which is used to describe the mass and heat transfer between the gas and solids phases in a batch fluidised bed dryer. In the model, it is assumed that the dilute phase (i.e., bubble) is plug flow while the interstitial gas and the solid particles are considered as being perfectly mixed. The thermal conductivity of wet particles is modelled using a serial and parallel circuit. The moisture diffusion in wet particles was simulated using a numerical finite volume method. Applying a simplified lumped model to a single solid particle, the heat and mass transfer between the interstitial gas and solid phase is taken into account during the whole drying process as three drying rate periods: warming-up, constant rate and falling-rate. The effects of the process parameters, such as particle size, gas velocity, inlet gas temperature and relative humidity, on the moisture content of solids in the bed have been studied by numerical computation using this model. The results are in good agreement with experimental data of heat and mass transfer in fluidised bed dryers. The model will be employed for online simulation of a fluidised bed dryer and for online control.     

A discrete model for non-wetting liquid flow from a point source in a packed bed under the influence of gas flow

A study of non-wetting flow in a packed bed under the influence of gas flow has been carried out. Departing from the usual continuum models, a discrete and deterministic model for liquid flow has been presented to model the liquid flow from single and multiple point sources. Liquid flow is modelled based on force balance approach considering gas drag, bed resistance and gravity forces. Gas flow is modelled using k-ε model for turbulent flow. An X-ray flow visualization technique, developed by our group, is used to study the liquid flow paths in the packed bed. Liquid flow path and velocity has been obtained for various liquid and gas flow rate. Flow paths obtained from the simulation results are in good agreement to those obtained from flow visualization procedure under various conditions. Also, liquid distribution at the bed bottom is reported and compared with the experimental results.