Previous results show that the floating reference theory(FRT)is an effective tool to reduce the infuence of interference factors on noninvasive blood glucose sensing by near infrared spectros-copy(NIRS).It is the key ...Previous results show that the floating reference theory(FRT)is an effective tool to reduce the infuence of interference factors on noninvasive blood glucose sensing by near infrared spectros-copy(NIRS).It is the key to measure the floating reference point(FRP)precisely for the application of FRT.Monte Carlo(MC)simulation has been introduced to quantitatively in-vestigate the effects of positioning errors and light source drifts on measuring FRP.In this article,thinning and calculating method(TCM)is proposed to quantify the positioning error.Mean-while,the normalization process(NP)is developed to significantly reduce the error induced by light source drift.The results according to TCM show that 7 purm deviations in positioning can generate about 10.63%relative error in FRP.It is more noticeable that 1%fluctuation in light source intensity may lead to 12.21%relative errors.Gratifyingly,the proposed NP model can effectively reduce the error caused by light source drift.Therefore,the measurement system for FRPs must meet that the positioning error is less than 7 purm,and the light source drift is kept within 1%.Furthermore,an improvement for measurement system is proposed in order to take advantage of the NP model.展开更多
Generic polymer models capturing the chain connectivity and excluded-volume interactions between polymer segments can be classified, according to whether or not the 3D integral of the latter diverges, into hard- and s...Generic polymer models capturing the chain connectivity and excluded-volume interactions between polymer segments can be classified, according to whether or not the 3D integral of the latter diverges, into hard- and soft-core models. Taking homogeneous systems of compressible homopolymer melts (or equivalently homopolymer solutions in an implicit, good solvent) in the continuum as an example, we recently compared the correlation effects on the structural and thermodynamic properties of the hard- and soft-core models given by the polymer reference interaction site model (PRISM) theory with the Percus-Yevick (PY) closure (Polymers 2023, 15, 1180). Here we analyzed in detail the numerical errors and behavior of the interchain pair correlation functions (PCFs) given by the PRISM-PY calculations of these models using an efficient numerical approach that we proposed. Our numerical approach has the least number of independent variables to be iteratively solved, analytically treats the discontinuities caused by the non-bonded pair potential (such as that of the hard spheres) and takes only the inverse Fourier transform of the interchain indirect PCF between polymer segments (which is continuous and decays towards 0 with increasing wavenumber much faster than both the interchain direct and total PCFs), and is essential for us to accurately solve the PRISM-PY theory for chain length N as large as 106. To capture the correlation-hole effect, the real-space cut-off in the PRISM calculations should be proportional to the square root of N.展开更多
基金the National High Technology Research and Development Program of China(863 Program:2012AA022602)the 111 Project(B07014)and Tianjin Natural Science Foundation(No.16JCZDJC31200).
文摘Previous results show that the floating reference theory(FRT)is an effective tool to reduce the infuence of interference factors on noninvasive blood glucose sensing by near infrared spectros-copy(NIRS).It is the key to measure the floating reference point(FRP)precisely for the application of FRT.Monte Carlo(MC)simulation has been introduced to quantitatively in-vestigate the effects of positioning errors and light source drifts on measuring FRP.In this article,thinning and calculating method(TCM)is proposed to quantify the positioning error.Mean-while,the normalization process(NP)is developed to significantly reduce the error induced by light source drift.The results according to TCM show that 7 purm deviations in positioning can generate about 10.63%relative error in FRP.It is more noticeable that 1%fluctuation in light source intensity may lead to 12.21%relative errors.Gratifyingly,the proposed NP model can effectively reduce the error caused by light source drift.Therefore,the measurement system for FRPs must meet that the positioning error is less than 7 purm,and the light source drift is kept within 1%.Furthermore,an improvement for measurement system is proposed in order to take advantage of the NP model.
基金the donors of The American Chemical Society Petroleum Research Fund for partial support of this research
文摘Generic polymer models capturing the chain connectivity and excluded-volume interactions between polymer segments can be classified, according to whether or not the 3D integral of the latter diverges, into hard- and soft-core models. Taking homogeneous systems of compressible homopolymer melts (or equivalently homopolymer solutions in an implicit, good solvent) in the continuum as an example, we recently compared the correlation effects on the structural and thermodynamic properties of the hard- and soft-core models given by the polymer reference interaction site model (PRISM) theory with the Percus-Yevick (PY) closure (Polymers 2023, 15, 1180). Here we analyzed in detail the numerical errors and behavior of the interchain pair correlation functions (PCFs) given by the PRISM-PY calculations of these models using an efficient numerical approach that we proposed. Our numerical approach has the least number of independent variables to be iteratively solved, analytically treats the discontinuities caused by the non-bonded pair potential (such as that of the hard spheres) and takes only the inverse Fourier transform of the interchain indirect PCF between polymer segments (which is continuous and decays towards 0 with increasing wavenumber much faster than both the interchain direct and total PCFs), and is essential for us to accurately solve the PRISM-PY theory for chain length N as large as 106. To capture the correlation-hole effect, the real-space cut-off in the PRISM calculations should be proportional to the square root of N.