In recently published paper by Yang Chunxin[1], I reexamined the paper. On page 128, the paper 'pointed out that the size and spatial distribution density of nucleation sites presented on real boiling surface can ...In recently published paper by Yang Chunxin[1], I reexamined the paper. On page 128, the paper 'pointed out that the size and spatial distribution density of nucleation sites presented on real boiling surface can be described by the normalized fractal distribution function, and the physical meaning of parameters involved in some experimental correlations proposed by early investigations are identified according to fractal distribution'. However, the definition on fractal dimension given by Yang[1] is highly questionable, and the results obtained by Yang are contradictory to the basic fractal theory. Here are my comments: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
文摘In recently published paper by Yang Chunxin[1], I reexamined the paper. On page 128, the paper 'pointed out that the size and spatial distribution density of nucleation sites presented on real boiling surface can be described by the normalized fractal distribution function, and the physical meaning of parameters involved in some experimental correlations proposed by early investigations are identified according to fractal distribution'. However, the definition on fractal dimension given by Yang[1] is highly questionable, and the results obtained by Yang are contradictory to the basic fractal theory. Here are my comments:
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.
