Mass/heat-exchange network representation of distillation networks

This article introduces the “state space” conceptual framework to process synthesis, which is used to provide a novel representation of a distillation network as a composite heat- and mass-exchange network. This representation suggests that distillation network synthesis may best be viewed as an interacting heat- and mass-exchange network synthesis problem. In that regard, familiar tools (such as pinch diagrams) from both heat-exchange network (HEN) and mass-exchange network (MEN) synthesis are shown to be of use in arriving at energy-efficient distillation network designs. Examples of propylene-propane and solvent-water separations are used to illustrate the proposed conceptual framework.     

A Matrix–Matrix Multiplication methodology for single/multi-core architectures using SIMD

In this paper, a new methodology for speeding up Matrix–Matrix Multiplication using Single Instruction Multiple Data unit, at one and more cores having a shared cache, is presented. This methodology achieves higher execution speed than ATLAS state of the art library (speedup from 1.08 up to 3.5), by decreasing the number of instructions (load/store and arithmetic) and the data cache accesses and misses in the memory hierarchy. This is achieved by fully exploiting the software characteristics (e.g. data reuse) and hardware parameters (e.g. data caches sizes and associativities) as one problem and not separately, giving high quality solutions and a smaller search space.     

On constrained infinite-time nonlinear optimal control

In this work, we consider the infinite-time optimal control of input affine nonlinear systems subject to point-wise in time inequality constraints on both the process inputs and outputs. Fundamental to solving this constrained infinite-time nonlinear optimal control (CITNOC) problem is the ability to calculate the value function of it's unconstrained counterpart, the infinite-time nonlinear optimal control (ITNOC) problem. Unfortunately, the traditional ITNOC solution procedure of specifying an objective function and then solving for the optimal control policy and corresponding value function is computationally intractable in all but the simplest of examples. However, in many cases one can easily identify a stabilizing feedback for near operating point regulation. Building from this local policy, the proposed method is to construct a meaningful optimal control objective function as well as its corresponding value function. These functions are then used to analyze the closed-loop stability of the proposed policy. Upon return to the constrained case the constructed objective and value functions are again used to develop a self-consistent constrained finite-time scheme that will, for the first time, provide an exact solution to the CITNOC problem. The mechanics of the proposed method are then illustrated by an example from chemical reactor control.     

Antivirulence Isoquinolone Mannosides: Optimization of the Biaryl Aglycone for FimH Lectin Binding Affinity and Efficacy in the Treatment of Chronic UTI

Uropathogenic E. coli (UPEC) employ the mannose‐binding adhesin FimH to colonize the bladder epithelium during urinary tract infection (UTI). Previously reported FimH antagonists exhibit good potency and efficacy, but low bioavailability and a short half‐life in vivo. In a rational design strategy, we obtained an X‐ray structure of lead mannosides and then designed mannosides with improved drug‐like properties. We show that cyclizing the carboxamide onto the biphenyl B‐ring aglycone of biphenyl mannosides into a fused heterocyclic ring, generates new biaryl mannosides such as isoquinolone 22 (2‐methyl‐4‐(1‐oxo‐1,2‐dihydroisoquinolin‐7‐yl)phenyl α‐d ‐mannopyranoside) with enhanced potency and in vivo efficacy resulting from increased oral bioavailability. N‐Substitution of the isoquinolone aglycone with various functionalities produced a new potent subseries of FimH antagonists. All analogues of the subseries have higher FimH binding affinity than unsubstituted lead 22 , as determined by thermal shift differential scanning fluorimetry assay. Mannosides with pyridyl substitution on the isoquinolone group inhibit bacteria‐mediated hemagglutination and prevent biofilm formation by UPEC with single‐digit nanomolar potency, which is unprecedented for any FimH antagonists or any other antivirulence compounds reported to date.     

Evaluation of polyesters from renewable resources as alternatives to the current fossil-based polymers. Phase transitions of poly(butylene 2,5-furan-dicarboxylate)

Poly(butylene 2,5-furan dicarboxylate) (PBF) is an alipharomatic polyester that can be prepared using monomers derived from renewable resources such as 2,5-furan dicarboxylic acid and 1,4-butanediol. In the present work the thermal behavior of PBF was studied. Multiple melting was observed during heating traces of samples isothermally crystallized from the melt using differential scanning calorimetry (DSC). The wide angle X-ray diffraction (WAXD) patterns did not reveal the presence of a second crystal population, or a crystal transition upon heating. DSC study showed that the phenomena are closely related to recrystallization. Temperature modulated DSC (TMDSC) tests indeed evidenced enhanced recrystallization. The equilibrium melting point was estimated to be 184.5 °C using the linear Hoffman–Weeks extrapolation. The heat of fusion of the pure crystalline polymer was found equal to 129 J/g or (27.35 kJ/mol), a little lower than that of PBT. The Lauritzen–Hoffman secondary nucleation theory was used and the surface energy values and the work of chain folding were found to be comparable to those of PBT, but quite lower than those of poly(ethylene terephthalate) (PET). The non-isothermal crystallization on cooling and the cold-crystallization of quenched samples were also studied. Condensed spherulites were observed on isothermal crystallization under large supercoolings by using polarized optical microscopy (POM), while the spherulites turned to ring-banded morphology at higher temperatures. In every case the nucleation density was high.     

Global optimality properties of total annualized and operating cost problems for compressor sequences

The minimum total annualized cost problem for a series of nonisentropic compressors and coolers that brings a gas with constant compressibility factor from a specified initial pressure and temperature to a specified final pressure and the same temperature is studied in this work. It is established analytically that at the global optimum, the cooler outlet temperatures are equal to the minimum allowable temperature. For constant heat capacity, constant compressibility factor gases, additional properties of the globally optimal compressor sequence are analytically established for the minimum operating cost case. The aforementioned properties permit development of a solution strategy that identifies the globally minimum operating cost. Several case studies are presented to illustrate the developed theorems and solution strategies. © 2014 American Institute of Chemical Engineers AIChE J 60: 4134–4149, 2014     

Water-Lubricated Ni-Based Composite(Ni-Al_2O_3,Ni-SiC and Ni-ZrO_2)Thin Film Coatings for Industrial Applications

In this work,pure nickel and Ni-based nanocomposite coatings(N1-Al_2O_3,Ni-SiC and Ni-ZrO_2) were produced on steel substrate by using pulse electrodeposition technique.The industrial performance tests were conducted to evaluate the wear resistance,corrosion resistance,adhesion strength and wettability behaviour of newly developed coatings.Rolling contact ball-on-disc tribometer was used to assess anti-wear behaviour of these coatings under waterlubricated contacts.The results showed that the wear- and corrosion resistance properties of nickel alumina and Ni-SiC composite coatings significantly improved than that of pure Ni and Ni-ZrO_2 coatings.The adhesion and wettability results of Ni-Al_2O_3 composite showed better performance when compared to the rest of the coatings.The effects of incorporating nanoparticles on the surface microstructure,interface adhesion and distribution of the particles were also investigated.The coatings were characterized by using scanning electron microscopy,X-ray diffraction analysis and 3D white light interferometry.The wear failure behaviour of these coatings was further examined by post-test surface observation under optical microscope.     

BAS-ADAM: An ADAM Based Approach to Improve the Performance of Beetle Antennae Search Optimizer

In this paper, we propose enhancements to Beetle Antennae search (BAS) algorithm, called BAS-ADAM, to smoothen the convergence behavior and avoid trapping in local-minima for a highly non-convex objective function. We achieve this by adaptively adjusting the step-size in each iteration using the adaptive moment estimation (ADAM) update rule. The proposed algorithm also increases the convergence rate in a narrow valley. A key feature of the ADAM update rule is the ability to adjust the step-size for each dimension separately instead of using the same step-size. Since ADAM is traditionally used with gradient-based optimization algorithms, therefore we first propose a gradient estimation model without the need to differentiate the objective function. Resultantly, it demonstrates excellent performance and fast convergence rate in searching for the optimum of non-convex functions. The efficiency of the proposed algorithm was tested on three different benchmark problems, including the training of a high-dimensional neural network. The performance is compared with particle swarm optimizer (PSO) and the original BAS algorithm.      

The Territorial Impact Assessment of transport: the case of the Egnatia motorway system in the cohesion potential of Southeast Europe

Territorial Impact Assessment (TIA) is proposed as a critical tool in order to investigate the way policies affect spatial development and hence territorial cohesion. The paper introduces a TIA methodological model in relation to transport sector. The design of the methodological model is based on a quantitative evaluation framework that comprises a set of selected indicators applied in a cross-border area of southeast Europe, influenced by the operation of the Greek motorway system of Egnatia and its vertical axes. The indicators are grouped into three main fields of TIA, i.e. transport intermodality, polycentric spatial organization and cross-border territorial cooperation. The TIA’s indicators are approximated by quantitative analysis. The procedure concludes to an overall composite indicator measuring the ‘level of territorial cohesion’ along with some core results and the expected added value. It also highlights some key technical aspects about the routines used and proceeds to suggestions for further refinement.