Computational Analysis of the Solid-State and Solvation Properties of Carbamazepine in Relation to its Polymorphism

The solvent-dependent polymorphism of the active pharmaceutical ingredient (API) carbamazepine is interpreted from calculations of the solid-state and API-solvent intermolecular interactions. These simulations suggested that apolar solute-solute interactions could be disrupted by apolar solvents. In contrast, the polar solute-solute interactions were found to be easily disrupted by polar and protic solvents. This is consistent with experimental observations that the crystallization of the metastable form II is more dominant in apolar solvents. The Mercury program remains the gold standard in terms of usability; however, further expansion into more complex simulation techniques could make this package of even greater use in pharmaceutical manufacturing workflows.     

Static stress analysis of carbon nano-tube reinforced composite (CNTRC) cylinder under non-axisymmetric thermo-mechanical loads and uniform electro-magnetic fields

Static stresses analysis of carbon nano-tube reinforced composite (CNTRC) cylinder made of poly-vinylidene fluoride (PVDF) is investigated in this study. Non-axisymmetric thermo-mechanical loads are applied on cylinder in presence of uniform longitudinal magnetic field and radial electric field. The surrounded elastic medium is modeled by Pasternak foundation because of its advantages to the Winkler type. Distribution of radial, circumferential and effective stresses, temperature field and electric displacements in CNTRC cylinder are determined based on Mori–Tanaka theory. The detailed parametric study is conducted, focusing on the remarkable effects of magnetic field intensity, elastic medium, angle orientation and volume fraction of carbon nano-tubes (CNTs) on distribution of effective stress. Results demonstrated that fatigue life of CNTRC cylinder will be significantly dependent on magnetic intensity, angle orientation and volume fraction of CNTs. Results of this research can be used for optimum design of thick-walled cylinders under multi-physical fields.     

Hygrothermal deformation of orthotropic nanoplates based on the state-space concept

This paper deals with the investigation of the effect of hygrothermal conditions on the bending of nanoplates using Levy type solution model employing the state-space concept. The nanoplates are assumed to be subjected to a hygrothermal environment. The two-unknown function plate theory is used to derive the governing differential equations on the basis of Eringen's nonlocal elasticity theory. The governing equations contain the small scale effect as well as hygrothermal and mechanical effects. These equations are converted into a set of first-order linear ordinary differential equations with constant coefficients. Analytical solution of bending response for nanoplates under combinations of simply supported, clamped and free boundary conditions is obtained. Comparison of the results with those being in the open literature is made. The influences played by small scale parameter, temperature rise, the degree of moisture concentration, boundary conditions, plate aspect ratio and side-to-thickness ratio are studied.     

Adaptive fuzzy control for nontriangular form systems with time-varying full-state constraints

This article investigates an adaptive fuzzy tracking control problem for a class of nontriangular form systems with asymmetric time-varying full state constraints. Unknown functions are approximated by the fuzzy logic systems. A domination approach is employed to tackle the nontriangular form structure. Time-varying asymmetric barrier Lyapunov functions (ABLFs) are adopted to ensure full-state constraints satisfaction. Based on the backstepping technique and time-varying ABLFs, an adaptive controller is proposed and guarantees that all the signals in the closed-loop system are ultimately bounded and the time-varying full state constraints are met. Simulation examples are presented to further demonstrate the effectiveness of the proposed approach.     

A Least Squares Approach to Escalator Algorithms for Adaptive Filtering

In this paper, we introduce an escalator (ESC) algorithm based on the least squares (LS) criterion. The proposed algorithm is relatively insensitive to the eigenvalue spread ratio (ESR) of an input signal and has a faster convergence speed than the conventional ESC algorithms. This algorithm exploits the fast adaptation ability of least squares methods and the orthogonalization property of the ESC structure. From the simulation results, the proposed algorithm shows superior convergence performance.     

番禺30-1砂岩强水驱气藏储层非均质性研究

针对垂向非均质性严重且边底水能量强的番禺30-1气田面临的潜在开发问题，通过岩心分析及测井二次解释，对其夹层特征及储层非均质性等进行了研究，划分出19个流动单元并定量描述了各流动单元的特征参数，建立了该气田的精细地质模型。综合评价表明，新建的地质模型具有较高的精度，为该气藏合理开发提供了坚实的地质基础。     

炼油厂全流程优化建模方法研究

为了克服使用线性规划和单处理单元非线性规划进行生产优化的内在缺点，在建立原油单元、催化裂化、催化重整和汽油调合等4个重要处理单元详细模型的基础上，将单处理单元非线性过程模型集成到一个全流程优化非线性模型中。优化的目标函数是使炼油厂全厂利润最大。决策变量是那些显著影响全厂效益的变量，约束条件是单个处理单元约束条件的集合。对某炼油厂进行实例研究，结果表明该全流程模型能有效处理全厂优化问题，所得利润在线性规划的基础上提高4．5％。     

波动方程数值模拟的隐式差分法

在有限差分波动方程数值模拟中,通常采用高阶差分方法来提高空间导数的数值逼近精度,以实现降低数值频散,提高数值模拟精度的目的。首先对差分频散进行了理论分析;然后讨论了估计一阶空间导数的隐式差分格式,并与通常采用的高阶精度显式差分格式进行了对比分析,结果表明,隐式差分格式能够在更宽的波数范围使差分频散控制在可接受的水平,如8阶精度的显式差分格式所适应的波数带宽约为O．55kmax,而隐式差分格式所适应的波数带宽约为0．7kmax;最后通过模型试算,对隐式差分格式的有效性进行了验证。模拟结果表明,用隐式差分格式在一定程度上降低了差分频散,提高了模拟精度。     

一种高精度的非平稳随机信号实时建模算法研究

针对传统的非平稳随机信号时变参数筹分模型算法的不足,论文把非平稳随机信号时变参数差分模型与一种带自适应遗忘因子的RLS算法结合起来,形成一种有效的非平稳随机信号实时建模算法,仿真分析表明该算法不仅能获得快的收敛速度而且能获得高的建模精度。     

一种变步长D-Rake多用户检测器

在时变多径衰落信道下,接收到的CDMA信号功率变化较大,此时D-Rake盲自适应多用户检测器性能显著下降,将变步长LMS算法与基于主分量的相干合并引入到D-Rake(DecorrelatingRake)检测器中,构成一种变步长D-Rake,称之为VD-Rake(Variablestep-sizeDecorrelatingRake)检测器。该检测器能克服原D-Rake检测器对信号功率变化较敏感等缺点,有效地改善了D-Rake检测器的性能。