Numerical simulation of water and heat transport in the cathode channel of a PEM fuel cell

Cathode channel of a PEM fuel cell is the critical domain for the transport of water and heat. In this study, a mathematical model of water and heat transport in the cathode channel is established by considering two-phase flow of water and air as well as the phase change between water and vapor. The transport process of the species of air is governed by the convection-diffusion equation. The VOSET (coupled volume-of-fluid and level set method) method is used to track the interface between air and water, and the phase equilibrium method of water and vapor is employed to calculate the mass transfer rate on the two-phase interface. The present model is validated against the results in the literature, then applied to investigate the characteristics of two-phase flow and heat transfer in the cathode channel. The results indicate that in the inlet section, water droplets experience three evolution stages: the growing stage, the coalescence stage and the generation stage of dispersed water drops. However, in the middle and outlet sections of the channel, there are only two stages: the growth of water droplets, and the formation of a water film. The mass transfer rate of phase change in the inlet section of the channel varies over time, exhibiting an initial increase, a decrease followed, and a stabilization finally, with the maximum and stable values of 1.78 × 10^?4 kg/s and 1.52 × 10^?4 kg/s for Part 1, respectively. In the middle and outlet sections, the mass transfer rate increase firstly and then keeps stable gradually. Furthermore, regarding the distribution of the temperature and vapor mass fraction in the channel, near the upper surface of the channel, the temperature and vapor mass fraction first change slightly (x < 0.03 m) and then rapidly decrease with fluctuations (x > 0.03 m). In the middle of the channel, the temperature and vapor mass fraction slowly decrease with fluctuation.     

Process Intensification of Living Cationic Polymerization of Isobutylene by a Flow Reaction System

Increasing the reaction temperature of the living cationic polymerization of isobutylene is crucial for industrial production due to the cost of refrigeration. The reaction temperature increase was achieved with an accelerated reaction rate using a flow reaction system. The polymerization conditions, including the flow reactor design, were based on the results of kinetic studies. Utilizing a milli‐scale flow reactor, polyisobutylene, which has a narrow molecular weight distribution, was obtained within a considerably short residence time at a high temperature. Furthermore, it was confirmed that the value of M_w/M_n correlates with the product of the Reynolds number and the angle of collision.     

Hybrid hydrate processes for CO2/H2 mixture purification: A techno-economic analysis

In this work, hydrate based separation technique was combined with membrane separation and amine-absorption separation technologies to design hybrid processes for separation of CO₂/H₂ mixture. Hybrid processes are designed in the presence of different types of hydrate promoters. The conceptual processes have been developed using Aspen HYSYS. Proposed processes were simulated at different flow rates for the feed stream. A comprehensive cost model was developed for economic analysis of novel processes proposed in this study. Based on the results from process simulation and equipment sizing, the amount of total energy consumption, fixed cost, variable cost, and total cost were calculated per unit weight of captured CO₂ for various flow rates of feed stream and in the presence of different hydrate promoters. Results showed that combination of hydrate formation separation technique with membrane separation technology results in a CO₂ capture process with lowest energy consumption and total cost per unit weight of captured CO₂. As split fraction and heat of hydrate formation increases, the share of hydrate formation section in total energy consumption increases. When TBAB is applied as hydrate promoter, due to its higher hydrate separation efficiency, more amount of CO₂ is captured in hydrate formation section and consequently the total cost for process decreases considerably. Hybrid hydrate-membrane process in the presence of TBAB as hydrate promoter with 29.47 US$/ton CO₂ total cost is the best scheme for hybrid hydrate CO₂ capture process. Total cost for this process is lower than total cost for single MDEA-based absorption process as the mature technology for CO₂ capture.     

Preparation and electrical conductivity of KTaO3-based proton conductor

KTaO₃ and KTa_0.9M_0.1O_3-α (M = Ti, Hf, Zr) were prepared by solid state reaction at 1330 °C for 2 h and characterized by x-ray diffraction. The AC impedance technique was used to analyze the sintered solid electrolytes in 1%H₂/Ar and dry air atmosphere. Among KTa_0.9M_0.1O_3-α (M = Ti, Hf, Zr), KTa_0.9Zr_0.1O_3-α displays the highest conductivity in 1%H₂/Ar atmosphere. The carriers transport numbers of solid electrolytes were measured by concentration cell method. The results show KTa_0.9Zr_0.1O_3-α is a pure proton conductor below 525 °C. Stability tests show that KTa_0.9Zr_0.1O_3-α has good chemical stability against CO₂ and H₂O.     

Theoretical framework for formulating MIP scheduling models with multiple and non-uniform discrete-time grids

We present a framework for the formulation of MIP scheduling models based on multiple and nonuniform discrete time grids. In a previous work we showed that it is possible to use different (possibly non-uniform) time grids for each task, unit, and material. Here, we generalize these ideas to account for general resources, and a range of processing characteristics such as limited intermediate storage and changeovers. Each resource has its own grid based on resource consumption and availability allowing resource constraints to be modeled more accurately without increasing the number of binary variables. We develop algorithms to define the unit-, task-, material-, and resource-specific grids directly from problem data. Importantly, we prove that the multi-grid formulation is able to find a schedule with the same optimal objective as the discrete-time single-grid model with an arbitrarily fine grid. The proposed framework leads to the formulation of models with reduced number of binary variables and constraints, which are able to find good solutions faster than existing models.     

A semicontinuous approach for heterogeneous azeotropic distillation processes

The separation of azeotropes has substantial energy and investment costs, and the available methods require high capital costs for reconstruction of process plants. As an alternative, a semicontinuous configuration that utilizes an existing plant with minor modifications has been explored. In this paper, a semicontinuous, heterogeneous azeotropic distillation process is proposed and acetic acid dehydration process is used as a case study. To carry out the simulation work, Aspen HYSYS^® simulation software is used along with MATLAB^® and an interface program to handle the mode-transition of the semicontinuous process. Sensitivity analyses on operating parameters are performed to identify the process limits. Comparisons are made to conventional heterogeneous azeotropic distillation, and dividing-wall distillation column on the annual cost. The results proved that the semicontinuous system is the best setup in terms of total annual costs and energy requirements.     

Reliability of complex chemical engineering processes

This paper presents a stochastic performance modelling approach that can be used to optimise design and operational reliability of complex chemical engineering processes. The framework can be applied to processes comprising multiple units, including the cases where closed form process performance functions are unavailable or difficult to derive from first principles, which is often the case in practice. An interface that facilitates automated two-way communication between Matlab^® and process simulation environment is used to generate large process responses. The resulting constrained optimisation problem is solved using both Monte Carlo Simulation (MCS) and First Order Reliability Method (FORM); providing a wide range of stochastic process performance measures. Adding such capabilities to traditional deterministic process simulators provides a more informed basis for selecting optimum design factors; giving a simple way of enhancing overall process reliability and cost-efficiency. Two case study systems are considered to highlight the applicability and benefits of the approach.     

Spray coating process variable and property analysis of UV-curable polyurethane acrylate coating on polycarbonate substrate

A series of spray coating experiments were conducted on an UV-curable, polyurethane-modified, acrylate-based coating formulation with the aim to control defects, coating thickness, and thickness variation. Statistical approaches including design of experiment, residual examination, analysis of variance, and t-test were used in designing the experiments and analyzing data. Viscosity of formulation, atomizing pressure, liquid feeding pressure, distance between nozzle and substrate, and travel speed of substrate were the process variables studied. The ranges of process variables that gave defect-free coating were identified and used in the subsequent experiments to determine process variables and interactions that had significant contribution to the changes in coating thickness and thickness variation. All process variables studied were found to have contribution to the change in coating thickness, but they showed no significant contribution to the variation of coating thickness. No interaction displayed significant contribution. Confirmation tests performed on extra samples prepared with varying coating thicknesses indicated a good agreement with the experimental results. Additional samples were tested for total transmittance, transmission haze, adhesion, surface roughness, hardness, scratch hardness, abrasion resistance, and durability to attack of car wash chemicals. Spray coated samples showed slight improvement in the total transmittance over the uncoated samples, while maintaining the transmission haze and exhibiting rougher surfaces. Only samples with thin coatings were found to possess sufficient adhesion to the substrate. These thin coatings gave improved hardness, scratch hardness, and durability to car wash attack to the level comparable to commercial coated polycarbonate headlamp lenses, whilst giving better abrasion resistance.     

An investigation into the cause of loss of containment from the supply of mini-bulk lubricants

An Intermediate Bulk Container (IBC) was punctured during its handling, releasing oil onto soil at an environmentally-sensitive region of Australia. The telehandler did not pierce the plastic of the IBC directly (as was expected) but rather one of the tynes had caught on the underside of the metal base plate, despite numerous controls being in place at time of spill, revealing a previously unreported mechanism for a fluid spill from handling of petroleum hydrocarbons. The diverse investigation team used a root cause analysis (RCA) technique to identify the underlying cause: the inspection process was inadequate with contributing factors of not using a spotter and design of IBC did not anticipate conditions. Engineering controls were put in place as part of the change management process to help prevent spills from occurring from piercing from telehandler tynes on the current project site.     

Automating data exchange in process choreographies

Communication between organizations is formalized as process choreographies in daily business. While the correct ordering of exchanged messages can be modeled and enacted with current choreography techniques, no approach exists to describe and automate the exchange of data between processes in a choreography using messages. This paper describes an entirely model-driven approach for BPMN introducing a few concepts that suffice to model data retrieval, data transformation, message exchange, and correlation – four aspects of data exchange. For automation, this work utilizes a recent concept to enact data dependencies in internal processes. We present a modeling guideline to derive local process models from a given choreography; their operational semantics allows to correctly enact the entire choreography from the derived models only including the exchange of data. Targeting on successful interactions, we discuss means to ensure correct process choreography modeling. Finally, we implemented our approach by extending the camunda BPM platform with our approach and show its feasibility by realizing all service interaction patterns using only model-based concepts.