Evaluation of Scale and Corrosion Inhibition of Modified Polyaspartic Acid

Amino acid modified polyaspartic acids were evaluated as calcium-scale inhibitors. Feasibility of scale inhibition experiments was analyzed by molecular dynamics simulation and Gaussian optimization, and the scale inhibition mechanism was theoretically analyzed. Scale inhibition performance was studied by scanning electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, static scale inhibition experiments, and electrochemical performance testing, which provided an experimental basis for the molecular dynamics simulation. The experimental results showed that Arg-SA-PASP has better scale inhibition and corrosion inhibition performance than His-SA-PASP. The scale inhibition effect increased with increasing concentration. Electrochemical tests indicated that Arg-SA-PASP is an excellent scale and corrosion inhibitor.     

Lean production system design for fishing net manufacturing using lean principles and simulation optimization

Value stream mapping (VSM) is a useful tool for describing the manufacturing state, especially for distinguishing between those activities that add value and those that do not. It can help in eliminating non-value activities and reducing the work in process (WIP) and thereby increase the service level. This research follows the guidelines for designing future state VSM. These guidelines consist of five factors which can be changed simply, without any investment. These five factors are (1) production unit; (2) pacemaker process; (3) number of batches; (4) production sequence; and (5) supermarket size. The five factors are applied to a fishing net manufacturing system. Using experimental design and a simulation optimizing tool, the five factors are optimized. The results show that the future state maps can increase service level and reduce WIP by at least 29.41% and 33.92% respectively. For the present study, the lean principles are innovatively adopted in solving a fishing net manufacturing system which is not a well-addressed problem in literature. In light of the promising empirical results, the proposed methodologies are also readily applicable to similar industries.     

Generic mathematical programming formulation and solution for computer-aided molecular design

This short communication presents a generic mathematical programming formulation for computer-aided molecular design (CAMD). A given CAMD problem, based on target properties, is formulated as a mixed integer linear/non-linear program (MILP/MINLP). The mathematical programming model presented here, which is formulated as an MILP/MINLP problem, considers first-order and second-order molecular groups for molecular structure representation and property estimation. It is shown that various CAMD problems can be formulated and solved through this model.     

Simultaneous process optimization and heat integration based on rigorous process simulations

This paper introduces a simultaneous process optimization and heat integration approach, which can be used directly with the rigorous models in process simulators. In this approach, the overall process is optimized utilizing external derivative-free optimizers, which interact directly with the process simulation. The heat integration subproblem is formulated as an LP model and solved simultaneously during optimization of the flowsheet to update the minimum utility and heat exchanger area targets. A piecewise linear approximation for the composite curve is applied to obtain more accurate heat integration results. This paper describes the application of this simultaneous approach for three cases: a recycle process, a separation process and a power plant with carbon capture. Case study results indicate that this simultaneous approach is relatively easy to implement and achieves higher profit and lower operating cost and, in the case of the power plant example, higher net efficiency than the sequential approach.     

Statistical Optimization for Production of Light Olefins in a Fluidized‐Bed Reactor

The methanol‐to‐olefins reaction (MTO) was studied in a small‐scale fluidized‐bed reactor over synthesized silicoaluminophosphate (SAPO‐34) catalysts. Mesoporous nanocrystalline SAPO‐34 molecular sieves were synthesized hydrothermally by ultrasonic and microwave‐assisted aging processes in the presence of hexadecyltrimethylammonium bromide (CTAB) and tetradecyldimethyl(3‐trimethoxysilylpropyl)ammonium chloride (TPOAC) as surfactant agents. The Box‐Behnken experimental design method was applied to determine the optimum operating parameters of this process conducted in the fluidized‐bed reactor. The optimum conditions in terms of reaction temperature, ratio of inlet gas velocity to minimum fluidizing velocity, and MeOH weight fraction were evaluated.     

Excited-state absorption of meso-tetrasulfonatophenyl porphyrin: Effects of pH and micelles

The influence of the environment on the excited state transitions of meso-tetrakis(p-sulfonatophenyl) porphyrin (TPPS) is reported. TPPS was investigated in protonated and non-protonated forms, and in the presence of the cationic cetyltrimethylammonium bromide (CTAB) micelles. The singlet excited-state absorption spectra were measured by using the white-light continuum Z-scan technique and the triplet–triplet absorption spectra were acquired employing an association of laser flash photolysis and Z-scan techniques. Our results show that the perseveration of the molecular symmetry, upon excitation, depends on the state of multiplicity of the molecules, as well as on the environment and structural characteristics of the porphyrin. Additionally, it was observed that for excited molecules, the ring distortion caused by the protonation of porphyrin ring has great influence on the changes observed for the symmetry and vibronic structure. The results clearly show that the porphyrin investigated is a promising candidate for optical limiting applications for all investigated environments.     

Using a Discrete-Event System Specifications (DEVS) for designing a Modelica compiler

We introduce a new architecture for the design of a tool for modeling and simulation of continuous and hybrid systems. The environment includes a compiler based on Modelica, a modular and a causal standard specification language for physical systems modeling (the tool supports models composed using certain component classes defined in the Modelica Standard Library, and the instantiation, parameterization and connection of these MSL components are described using a subset of Modelica). Models are defined in Modelica and are translated into DEVS models. DEVS theory (originally defined for modeling and simulation of discrete event systems) was extended in order to permit defining these of models. The different steps in the compiling process are show, including how to model these dynamic systems under the discrete event abstraction, including examples of model simulation with their execution results.     

Genetic diversity by AFLP analysis within Jatropha curcas L. populations in the State of São Paulo,Brazil

The genetic diversity of 5 populations of Jatropha curcas L. (Euphorbiaceae), a species cultivated in tropical countries and used in biodiesel production, was analyzed by amplified fragment length polymorphism (AFLP). Plants from distinct populations found in the State of São Paulo, Brazil, had their genetic diversity characterized by using three primer combinations. The number of polymorphic bands obtained reached 184 and the base pair length of bands ranged from 75 to 350, with average PIC values of 0.418. Accessions from the Aguas de Santa Barbara population presented the highest percentage of polymorphic loci (89.76%), followed by the populations of Catanduva (84.24%), Jales (80.98%), Jurucê (78.80%) and Taquaritinga (70.65%). Plants collected from the populations of Taquaritinga and Jales presented the smallest and highest genetic diversities, respectively, measured by using both Nei's genetic variability index (h = 0.2242 and 0.2973) and Shannon's index (I = 0.3359 and 0.4319). The results obtained indicated that 73.1% of genetic variability corresponds to intrapopulational variation and 26.8% to variation among populations. The clustering dendrogram using Jacquard showed four clusters. Three clusters with low genetic diversity grouped most of individuals collected in distinct regions (63.3% JU, 47.0% JA and 82.5% TA) and the fourth with the higher genetic diversity was composed with basically individuals collected in CA and AS, but it also had samples collected in JU, JA and TA, where it is possible to select individuals to be included in breeding programs.     

High-voltage and low specific on-resistance power UMOSFET using P and N type columns

For the first time, we present the unique features exhibited by power 4H–SiC UMOSFET in which N and P type columns (NPC) in the drift region are incorporated to improve the breakdown voltage, the specific on-resistance, and the total lateral cell pitch. The P-type column creates a potential barrier in the drift region of the proposed structure for increasing the breakdown voltage and the N-type column reduces the specific on-resistance. Also, the JFET effects reduce and so the total lateral cell pitch will decrease. In the NPC-UMOSFET, the electric field crowding reduces due to the created potential barrier by the NPC regions and causes more uniform electric field distribution in the structure. Using two dimensional simulations, the breakdown voltage and the specific on-resistance of the proposed structure are investigated for the columns parameters in comparison with a conventional UMOSFET (C-UMOSFET) and an accumulation layer UMOSFET (AL-UMOSFET) structures. For the NPC-UMOSFET with 10 µm drift region length the maximum breakdown voltage of 1274 V is obtained, while at the same drift region length, the maximum breakdown voltages of the C-UMOSFET and the AL-UMOSFET structures are 534 and 703 V, respectively. Moreover, the proposed structure exhibits a superior specific on-resistance (R_on,sp) of 2 mΩ cm², which shows that the on-resistance of the optimized NPC-UMOSFET are decreased by 56% and 58% in comparison with the C-UMOSFET and the AL-UMOSFET, respectively.