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     

Role of cation demixing and quasicrystal formation and breakup on the stability of smectitic colloids

The Derjaguin–Landau–Verwey–Overbeek (DLVO) theory has been extensively used to explain colloid stability. This study investigated the effect of demixing of monovalent and divalent cations and crystalline swelling on the breakup and formation of smectite quasicrystals (QCs) and how these processes affect flocculation and dispersion of natural soil clay–humic complexes. The results indicated that in a Ca-dominated system the formation of large QCs enhanced flocculation and that increasing the concentration of Na⁺, K⁺, or NH₄⁺ resulted in the breakup of large Ca-QCs, which enhanced dispersion. In low ionic strength systems, dispersion was caused by expanded double layers (DLVO) and the formation of small QCs. X-ray diffraction analyses showed that as large Ca-QCs breakup, monovalent cations resided primarily on the external surfaces and Ca²⁺ was preferentially retained in the interlayers. In high ionic strength systems increasing concentrations of monovalent cations also decreased the size of QCs but the effect was partially counteracted by compression of double layers between QCs. X-ray diffraction analyses indicated that monovalent cations were sorbed on both the external surfaces and in the interlayers in high ionic strength systems.     

From sustainability to sustainizability

Following the recent introduction of the Sustainability over Sets (SOS) concept as a sustainability analysis tool with broad flexibility in incorporating human input, in this work, the concepts of Sustainizability (SIZ) and Sustainizability over Sets (SIZOS) are introduced, as novel frameworks for sustainable system synthesis. Springing off the conceptual foundation of sustainability, SIZ (and SIZOS) refers to the existence of allowable external actions, and/or design changes that can render sustainable (sustainable over a set) an unsustainable (unsustainable over a set) system. Utilizing earlier mathematical results for SOS, rigorous necessary and sufficient conditions for SIZOS are presented. Two case studies, on a two-dimensional biological waste treatment system, and a three-dimensional food chain system, are then presented to illustrate the developed necessary and sufficient conditions for SIZOS.     

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.