In this work, the influence of the Hurst exponent and Peclet number (Pe) on the temporal mixing behavior of a conservative solute in the self-affine fractures with variable-aperture fracture and constant-aperture distributions were investigated. The mixing was quantified by the scalar dissipation rate (SDR) in fractures. The investigation shows that the variable-aperture distribution leads to local fluctuation of the temporal evolution of the SDR, whereas the temporal evolution of the SDR in the constant-aperture fractures is smoothly decreasing as a power-law function of time. The Peclet number plays a dominant role in the temporal evolution of mixing in both variable-aperture and constant-aperture fractures. In the constant-aperture fracture, the influence of Hurst exponent on the temporal evolution of the SDR becomes negligible when the Peclet number is relatively small. The longitudinal SDR can be related to the global SDR in the constant-aperture fracture when the Peclet number is... [more]

The Effectiveness-Number of Transfer Unit method (ε-NTU method) was applied to determine the overall mass transfer coefficient, KLa, of operating gas-liquid absorbers treating Volatile Organic Compounds (VOCs). This method requires the knowledge of the operating conditions (gas flow rate, QG; liquid flow rate, QL; scrubber volume V), the measurement of gaseous concentrations at the inlet, CGin, and at the outlet, CGout, of the contactor (in order to determine the effectiveness of the absorber ε) and the calculation of the Henry coefficient of the VOC between the gas and the liquid phases (HVOC). Coupled with the “equivalent absorption capacity„ concept, the ε-NTU method was used to determine KLa of absorbers contacting a gas and a mixture of water and a Non Aqueous Phase, successfully. The method, validated from literature data for configurations countercurrent scrubbers and stirred tank reactors, could be used to simply determine the overall mass transfer coefficient of systems for wh... [more]

The adsorptive properties of poly(1-methylpyrrol-2-ylsquaraine) (PMPS) particles were investigated in batch and column adsorption experiments as alternative adsorbent for the treatment of endocrine-disrupting chemicals in water. The PMPS particles were synthesised by condensing 3,4-dihydroxycyclobut-3-ene-1,2-dione (squaric acid) with 1-methylpyrrole in butanol. The results demonstrated that PMPS particles are effective in the removal of endocrine disrupting chemicals (EDCs) in water with adsorption being more favourable at an acidic pH, and a superior sorption capacity being achieved at pH 4. The results also showed that the removal of EDCs by the PMPS particles was a complex process involving multiple rate-limiting steps and physicochemical interactions between the EDCs and the particles. Gibbs free energy of −8.32 kJ/mole and −6.6 kJ/mol, and enthalpies of 68 kJ/mol and 43 kJ/mol, were achieved for the adsorption E2 and EE2 respectively The removal efficiencies of the EDCs by PMPS p... [more]

An experimental study in industry was previously carried out on a batch fluid bed granulation system by varying the inlet fluidizing air temperature, binder liquid spray atomization pressure, the binder liquid spray rate and the disintegrant composition in the formulation. A population balance model framework integrated with heat transfer and moisture balance due to liquid addition and evaporation was developed to simulate the fluid bed granulation system. The model predictions were compared with the industry data, namely, the particle size distributions (PSDs) and geometric mean diameters (GMDs) at various time-points in the granulation process. The model also predicted the trends for binder particle dissolution in the wetting liquid and the temperatures of the bed particles in the fluid bed granulator. Lastly, various process parameters were varied and extended beyond the region studied in the aforementioned experimental study to identify optimal regimes for granulation.

Supercritical carbon dioxide (S-CO₂) Brayton cycles (BC) are soon to be a competitive and environment friendly power generation technology. Progressive technological developments in turbo-machineries and heat exchangers have boosted the idea of using S-CO₂ in a closed-loop BC. This paper describes and discusses energy and exergy analysis of S-CO₂ BC in cascade arrangement with a secondary cycle using CO₂, R134a, ammonia, or argon as working fluids. Pressure drop in the cycle is considered, and its effect on the overall performance is investigated. No specific heat source is considered, thus any heat source capable of providing temperature in the range from 500 °C to 850 °C can be utilized, such as solar energy, gas turbine exhaust, nuclear waste heat, etc. The commercial software ‘Aspen HYSYS version 9’ (Aspen Technology, Inc., Bedford, MA, USA) is used for simulations. Comparisons with the literature and simulation results are discussed first for the standalone S-CO₂ BC. Energy analys... [more]

The coupling between hydraulic and mechanical processes in rock joints has significantly influenced the properties and applications of rock mass in many engineering fields. In this study, a series of regular shear tests and shear-flow coupled tests were conducted on artificial joints with sawtooth asperities. Shear deformation, strength, and seepage properties were comprehensively analyzed to reveal the influence of joint roughness, normal stress, and seepage pressure on shear-flow coupled behavior. The results indicate that the shear failure mode, which can be divided into sliding and cutting, is dominated by joint roughness and affected by the other two factors under certain conditions. The seepage process makes a negative impact on shear strength as a result of the mutual reinforcing of offsetting and softening effects. The evolution of hydraulic aperture during the shear-flow coupled tests embodies a consistent pattern of four stages: shear contraction, shear dilation, re-contracti... [more]

The degradation and detachment of the polyamide (PA) layer for the conventional thin-film composite (TFC) membranes due to chemical disinfectants cleaning with chlorine and material difference of PA layer and substrate are two major bottlenecks of forward osmosis (FO) technology. In this study, a new type of FO membranes was first prepared by controlling dopamine (DA) as the sole amine in the aqueous phase and the reaction with trimesoyl chloride (TMC) as the acyl chloride during interfacial polymerization (IP) process. The influence of membrane synthesis parameters such as monomer concentration, pH of the aqueous phase, IP reaction time and IP temperature were systematically investigated. The optimized membrane showed both improved structure stability and chlorine resistance, more so than the conventional TFC membrane. In general, novel DA/TMC TFC membranes could be an effective strategy to synthesize high-performance FO membranes with excellent structural stability and chlorine resis... [more]

When the hard and thick key strata are located above the working face, the bed separation structure is easy to be formed after mining because of the high strength and integrity of the hard and thick key strata and the initial breaking step is large. After the hard, thick strata are broken, the overburden will be largely collapsed and unstable in a large area and the dynamic disaster is easily induced. In this study, considering the fundamental deformation and failure effect of coal seam, the development law of the bed separation and the fractures under hard and thick magmatic rocks and the mechanism of breaking induced disaster of hard and thick magmatic rocks are studied by similar simulation tests. The results of the study are as follows: (1) The similar material ratio of coal seam is obtained by low-strength orthogonal ratio test of similar materials of coal seam, that is, cement:sand:water:activated carbon:coal = 6:6:7:1.1:79.9. (2) The magmatic rocks play a role in shielding the d... [more]

The existence of surface roughness, various contact conditions and the occurrence of flow nonlinearity make the flow process in natural rock fractures more complicated. To evaluate the fluid flow regimes in deformable rough-walled rock fractures, a great many hydromechanical tests were conducted on nine real fractures artificially produced from a wide range of lithological diversity. For fractures with a certain JRC (fracture roughness coefficient) value, the confining pressure varied from 5 to 20 MPa, and the hydraulic pressure was increased from 0.4 to 6.0 MPa. The experimental results display that (i) regression analyses of the raw experimental data indicate that the Forchheimer’s law provides a perfect description for flow process through the fractures. The coefficients of viscous and inertial pressure drops undergo a growth of 2⁻3 orders of magnitude with an increase in the confining pressure; (ii) the hydraulic aperture decreases by approximately 87.41⁻92.81% as the confining pre... [more]

Synthetic biology seeks to design biological parts and circuits that implement new functions in cells. Major accomplishments have been reported in this field, yet predicting a priori the in vivo behaviour of synthetic gene circuits is major a challenge. Mathematical models offer a means to address this bottleneck. However, in biology, modelling is perceived as an expensive, time-consuming task. Indeed, the quality of predictions depends on the accuracy of parameters, which are traditionally inferred from poorly informative data. How much can parameter accuracy be improved by using model-based optimal experimental design (MBOED)? To tackle this question, we considered an inducible promoter in the yeast S. cerevisiae. Using in vivo data, we re-fit a dynamic model for this component and then compared the performance of standard (e.g., step inputs) and optimally designed experiments for parameter inference. We found that MBOED improves the quality of model calibration by ∼60%. Results furt... [more]

Pulsed field gradient (PFG) nuclear magnetic resonance (NMR) allows recording of molecular diffusion paths (notably, the probability distribution of molecular displacements over typically micrometers, covered during an observation time of typically milliseconds) and has thus proven to serve as a most versatile means for the in-depth study of mass transfer in complex materials. This is particularly true with nanoporous host materials, where PFG NMR enabled the first direct measurement of intracrystalline diffusivities of guest molecules. Spatial resolution, i.e., the minimum diffusion path length experimentally observable, is limited by the time interval over which the pulsed field gradients may be applied. In “conventional„ PFG NMR measurements, this time interval is determined by a characteristic quantity of the host-guest system under study, the so-called transverse nuclear magnetic relaxation time. This leads, notably when considering systems with low molecular mobilities, to severe... [more]

Coal and gas outbursts are serious safety concerns in the Chinese coal industry. Mining of the upper or lower protective coal seams has been widely used to minimize this problem. This paper presents new findings from longwall mining-induced fractures, stress distribution changes in roof strata, strata movement and gas flow dynamics after the lower protective coal seam is extracted in a deep underground coal mine in Jincheng, China. Two Flac3D models with varying gob loading characteristics as a function of face advance were analyzed to assess the effect of gob behavior on stress relief in the protected coal seam. The gob behavior in the models is incorporated by applying variable force to the floor and roof behind the longwall face to simulate gob loading characteristics in the field. The influence of mining height on the stress-relief in protected coal seam is also incorporated. The stress relief coefficient and relief angle were introduced as two essential parameters to evaluate the... [more]

Since modeling and simulation are the two most effective tools that can be used in the design or analysis process, they play a vital role in developing such system. In many cases, they are the only possible means of making a safe engineering decision for a new concept of process for a large-scale system. Elsewhere, they are used as a critical element in the analysis of energy systems or to suggest a method of developing a novel and effective energy system model. Thus, in this study, simulations and test bed experiment were carried out to assess a low-power digital excitation system in order to validate its effectiveness. The excitation systems currently used by most of the power stations in the Republic of Korea were installed during the 1970s or 1980s. Unfortunately, it is difficult to seek technical assistance for them as they depend on foreign technologies, requiring a large sum to be paid when requesting one or more engineers to be dispatched. As such, technical updates have always... [more]

The fluid dynamics of macroscopic and microscopic systems is well developed and has been extensively validated. Its extraordinary success makes it tempting to apply Navier⁻Stokes fluid dynamics without modification to systems of ever decreasing dimensions as studies of nanofluidics become more prevalent. However, this can result in serious error. In this paper, we discuss several ways in which nanoconfined fluid flow differs from macroscopic flow. We give particular attention to several topics that have recently received attention in the literature: slip, spin angular momentum coupling, nonlocal stress response and density inhomogeneity. In principle, all of these effects can now be accurately modelled using validated theories. Although the basic principles are now fairly well understood, much work remains to be done in their application.

Lignin valorization is a key aspect to design sustainable management systems for lignocellulosic biomass. The successful implementation of bio-refineries requires high value added applications for the chemicals derived from lignin. Without effective separation processes, the achievement of this purpose is difficult. Supported ionic liquid membranes can play a relevant role in the separation and purification of lignocellulosic components. This work investigated different supported ionic liquid membranes for selective transport of two different types of technical lignins (Kraft lignin and lignosulphonate) and monosaccharides (xylose and glucose) in aqueous solution. Although five different membrane supports and nine ionic liquids were tested, only the system composed by [BMIM][DBP] as an ionic liquid and polytetrafluoroethylene (PTFE) as a membrane support allowed the selective transport of the tested solutes. The results obtained with this selective membrane demonstrated that lignins we... [more]

Oleic acid needs to be heated when it is utilized for biodiesel production, but, as a low-loss solution, oleic acid is difficult to heat by microwave. An efficient heating method for oleic acid is designed. A high loss material porous media is placed in a quartz tube, and a microwave directly heats the porous medium of the high loss material. The oleic acid flows through the pores of porous media so that the oleic acid exchanges heat during this process and rapid heating of oleic acid is achieved. A coupling model, based on the finite element method, is used to analyze the microwave heating process. The multiphysics model is based on a single mode cavity operating at 2450 MHz. An elaborate experimental system is developed to validate the multiphysics model through temperature measurements carried out for different flow velocities of oleic acid and different microwave power levels. The computational results are in good agreement with the experimental data. Based on the validated model,... [more]

Regulatory T cells (Tregs) have an important role in self-tolerance. Understanding the functions of Tregs is important for preventing or slowing the progress of Type 1 Diabetes. We use a two-dimensional (2D) agent-based model to simulate immune response in mice and test the effects of Tregs in tissue protection. We compared the immune response with and without Tregs, and also tested the effects of Tregs from different sources or with different functions. The results show that Tregs can inhibit the proliferation of effector T cells by inhibiting antigens presenting via dendritic cells (DCs). Although the number and function of Tregs affect the inhibition, a small number of Tregs compared to CD4⁺ T cells can effectively protect islets in pancreatic tissue. Finally, we added Tregs to the system in the middle phase of the immune response. The simulation results show that Tregs can inhibit the production of effector CD8⁺ T cells and maintain a good environment for β cell regeneration.

The oil industry is plagued with regular incidences of spills into the environment, causing environmental damage to flora and fauna, especially in marine environments where spills easily travel long distances from their sources. This study was carried out to investigate a simple two-step process for the conversion of waste cigarette filters into a superhydrophobic and oleophilic sorbent for application in oil/water separation and spill clean-up. Ultrasonically cleaned filters were surface modified by chemical vapour deposition using methyltrichlorosilane. The results show that the functionalised waste filters achieved superhydrophobic properties with a water contact angle of 154 ± 3.5°, adsorbing 16 to 26 times their weights in various oils, which is a better oil sorption performance than those of commercially available non-woven polypropylene adsorbents. Also, the sorption capacity did not significantly deteriorate after 20 cycles of reuse, with up to 75% sorption capacity retained. T... [more]

The recent shale gas boom has transformed the energy landscape of the United States. Compared to natural gas, shale resources contain a substantial amount of condensate and natural gas liquids (NGLs). Many shale basin regions located in remote areas are lacking the infrastructure to distribute the extracted NGLs to other regions—particularly the Gulf Coast, a major gas processing region. Here we present a shale gas transformation process that converts NGLs in shale resources into liquid hydrocarbons, which are easier to transport from these remote basins than NGL or its constituents. This process involves catalytic dehydrogenation followed by catalytic oligomerization. Thermodynamic process analysis shows that this process has the potential to be more energy efficient than existing NGL-to-liquid fuel (NTL) technologies. In addition, our estimated payback period for this process is within the average lifetime of shale gas wells. The proposed process holds the promise to be an energy eff... [more]

Severe influenza infections are often characterized as having unique host responses (e.g., early, severe hypercytokinemia). Neuraminidase inhibitors can be effective in controlling the severe symptoms of influenza but are often not administered until late in the infection. Several studies suggest that immune modulation may offer protection to high risk groups. Here, we review the current state of mathematical models of influenza-induced host responses. Selecting three models with conserved immune response components, we determine if the immune system components which most affect virus replication when perturbed are conserved across the models. We also test each model’s response to a pre-induction of interferon before the virus is administered. We find that each model emphasizes the importance of controlling the infected cell population to control viral replication. Moreover, our work shows that the structure of current models does not allow for significant responses to increased interf... [more]

The antibacterial photocatalytic activity of TiO₂ supported over two types of substrates, borosilicate glass tubes (TiO₂/SiO₂-borosilicate glass tubes (BGT)) and low-density polyethylene pellets (TiO₂-LDPE pellets), which were placed in a compound parabolic collectors (CPC) reactor, was evaluated against Enterobacter cloacae and Escherichia coli under sunlight. Three solar photocatalytic systems were assessed, suspended TiO₂, TiO₂/SiO₂-BGT and TiO₂-LDPE pellets, at three initial bacterial concentrations, 1 × 10⁵; 1 × 10³; 1 × 10¹ CFU/mL of E. coli and total bacteria (E. cloacae and E. coli). The solar photo-inactivation of E. coli was achieved after two hours with 7.2 kJ/L of UV-A, while total bacteria required four hours and 16.5 kJ/L of UV-A. Inactivation order of E. coli was determined, as follows, suspended TiO₂/sunlight (50 mg/L) > TiO₂-LDPE pellets/sunlight (52 mg/L) > TiO₂/SiO₂-BGT/sunlight (59 mg/L), the best E. coli. inactivation rate was obtained with TiO₂-LDPE pellets/sunlig... [more]

Inference of biochemical network models from experimental data is a crucial problem in systems and synthetic biology that includes parameter calibration but also identification of unknown interactions. Stochastic modelling from single-cell data is known to improve identifiability of reaction network parameters for specific systems. However, general results are lacking, and the advantage over deterministic, population-average approaches has not been explored for network reconstruction. In this work, we study identifiability and propose new reconstruction methods for biochemical interaction networks. Focusing on population-snapshot data and networks with reaction rates affine in the state, for parameter estimation, we derive general methods to test structural identifiability and demonstrate them in connection with practical identifiability for a reporter gene in silico case study. In the same framework, we next develop a two-step approach to the reconstruction of unknown networks of inte... [more]

To reduce CO 2 emissions from power plants, electricity companies have diversified their generation sources. Fossil fuels, however, still remain an integral energy generation source as they are more reliable compared to the renewable energy sources. This diversification as well as changing electricity demand could hinder effective economical operation of an amine-based post-combustion CO 2 capture (PCC) plant attached to the power plant to reduce CO 2 emissions. This is as a result of large fluctuations in the flue gas flow rate and unavailability of steam from the power plant. To tackle this problem, efficient control algorithms are necessary. In this work, tracking and economic model predictive controllers are applied to a PCC plant and their economic performance is compared under different scenarios. The results show that economic model predictive control has a potential to improve the economic performance and energy efficiency of the amine-based PCC process up... [more]

This submission includes Excel, MATLAB code, Aspen Plus simulation, and Aspen Capital Cost Estimator files for the paper entitled "Design and Optimization of a Novel Coke Oven Gas and Blast Furnace Gas to Methanol Process with Carbon Dioxide Capture and Utilization".

One of the largest engineering challenges of our time is finding technical solutions that permit the use of our energy resources in a sustainable way. In order to achieve meaningful and positive change, new energy systems must adhere to the triple bottom line of sustainability. This means that new technical solutions must be economically, socio-politically, and environmentally sustainable, such that they can be rapidly adopted and accepted. The engineering literature is full of a great many technical proposals for new energy systems, but it turns out to be quite hard to objectively look at them all, see through the hype, and decide which are the best and most promising technologies in which to invest our research and development dollars. In this talk, I will present a case study with the results of our recent meta-study covering over 100 candidate electricity generation systems with carbon dioxide capture, in order to determine which are the most promising classes of technologies. I wi... [more]