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乔成立 《大学化学》2015,30(2):64-68
以林邦副反应思想为基础,用质子条件式PBE、物料平衡式MBE、滴定分数和条件稳定常数等知识推导出一元强碱滴定一元弱酸溶液的林邦滴定曲线方程,并用滴定曲线方程讨论了滴定开始至化学计量点时任意一点p H的计算。  相似文献   
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Knowledge of drug solubility data in supercritical carbon dioxide (SC-CO2) is a fundamental step in producing nano and microparticles through supercritical fluid technology. In this work, for the first time, the solubility of metoclopramide hydrochloride (MCP) in SC-CO2 was measured in pressure and temperature range of 12 to 27 MPa and 308 to 338 K, respectively. The results represented a range mole fractions of 0.15 × 10-5 to 5.56 × 10-5. To expand the application of the obtained data, six semi-empirical models and three models based on the Peng-Robinson equation of state (PR + VDW, PR + WS + Wilson and PR + MHV1 + COSMOSAC) with different mixing rules and various ways to describe intermolecular interactions were investigated. Furthermore, total enthalpy, sublimation enthalpy and solvation enthalpy relevant to MCP solvating in SC-CO2 were estimated.  相似文献   
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It is known that the accuracy of the maximum likelihood-based covariance and precision matrix estimates can be improved by penalized log-likelihood estimation. In this article, we propose a ridge-type operator for the precision matrix estimation, ROPE for short, to maximize a penalized likelihood function where the Frobenius norm is used as the penalty function. We show that there is an explicit closed form representation of a shrinkage estimator for the precision matrix when using a penalized log-likelihood, which is analogous to ridge regression in a regression context. The performance of the proposed method is illustrated by a simulation study and real data applications. Computer code used in the example analyses as well as other supplementary materials for this article are available online.  相似文献   
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Some new sixth-order compact finite difference schemes for Poisson/Helmholtz equations on rectangular domains in both two- and three-dimensions are developed and analyzed. Different from a few sixth-order compact finite difference schemes in the literature, the finite difference and weight coefficients of the new methods have analytic simple expressions. One of the new ideas is to use a weighted combination of the source term at staggered grid points which is important for grid points near the boundary and avoids partial derivatives of the source term. Furthermore, the new compact schemes are exact for 2D and 3D Poisson equations if the solution is a polynomial less than or equal to 6. The coefficient matrices of the new schemes are $M$-matrices for Helmholtz equations with wave number $K≤0,$ which guarantee the discrete maximum principle and lead to the convergence of the new sixth-order compact schemes. Numerical examples in both 2D and 3D are presented to verify the effectiveness of the proposed schemes.  相似文献   
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A delay differential equation is presented which models how the behavior of traders influences the short time price movements of an asset. Sensitivity to price changes is measured by a parameter a. There is a single equilibrium solution, which is non-hyperbolic for all a>0. We prove that for a< 1 the equilibrium is asymptotically stable, and that for a>1 a 2-dimensional global center-unstable manifold connects the equilibrium to a periodic orbit. Its birth at a=1 is not of Hopf type and seems part of a Takens–Bogdanov scenario.  相似文献   
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A number of control problems for mechanical systems with feedback are reduced to a matrix algebraic Riccati equation. The exact solutions of matrix algebraic Riccati equations with singularities are presented. These singularities do not permit the use of standard solution procedures. Asymptotic solutions of these equations are found in the neighborhood of the singular points. These results can be used as test examples in developing new solution algorithms for matrix algebraic Riccati equations __________ Translated from Prikladnaya Mekhanika, Vol. 42, No. 2, pp. 113–120, February 2006.  相似文献   
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We use a mathematical technique, the self-similar functional renormalization, to construct formulas for the average conductivity that apply for large heterogeneity, based on perturbative expansions in powers of a small parameter, usually the log-variance of the local conductivity. Using perturbation expansions up to third order and fourth order in obtained from the moment equation approach, we construct the general functional dependence of the scalar hydraulic conductivity in the regime where is of order 1 and larger than 1. Comparison with available numerical simulations show that the proposed method provides reasonable improvements over available expansions.  相似文献   
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