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An Alternative Presentation of the Second Law of Thermodynamics
Lee, Sangyoub,Lee, Kyusup,Lee, Jiyon American Chemical Society and Division of Chemical 2015 Journal of chemical education Vol.92 No.4
<P>We present an elementary, but still quite rigorous derivation of the Clausius inequality, which sheds a new perspective on the second law. Unlike the classical approach, our derivation does not employ the Carnot cycle. The Clausius inequality follows in a straightforward way from the first law and thermodynamic stability conditions without invoking the Clausius or the Kelvin–Planck statement of the second law. The background knowledge required for this article is the same as that for the usual textbook presentation of the second law. The new presentation of the second law is, therefore, appropriate for an introductory thermodynamics course.</P><P><B>Graphic Abstract</B> <IMG SRC='http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jceda8/2015/jceda8.2015.92.issue-4/ed5007822/production/images/medium/ed-2014-007822_0002.gif'></P><P><A href='http://pubs.acs.org/doi/suppl/10.1021/ed5007822'>ACS Electronic Supporting Info</A></P>
Reply to “Comment on ‘An Alternative Presentation of the Second Law of Thermodynamics’”
Lee, Sangyoub,Lee, Kyusup,Lee, Jiyon American Chemical Society and Division of Chemical 2016 Journal of chemical education Vol.93 No.5
<P>This letter is to respond to 'Comment on 'An Alternative Presentation of the Second Law of Thermodynamics'', which discusses some shortcomings of our approach of teaching the second law of thermodynamics.</P>
A Variant of the Brillouin-Wigner Perturbation Theory with Epstein-Nesbet Partitioning
Lee, Sangyoub,Choi, Cheol Ho,Kim, Eunji,Choi, Young Kyun Korean Chemical Society 2013 Bulletin of the Korean Chemical Society Vol.34 No.11
We present an elementary pedagogical derivation of the Brillouin-Wigner and the Rayleigh-Schr$\ddot{o}$dinger perturbation theories with Epstein-Nesbet partitioning. A variant of the Brillouin-Wigner perturbation theory is also introduced, which can be easily extended to the quasi-degenerate case. A main advantage of the new theory is that the computing time required for obtaining the successive higher-order results is minimal after the third-order calculation. We illustrate the accuracy of the new perturbation theory for some simple model systems like the perturbed harmonic oscillator and the particle in a box.
Lee, Woo-Jin,Park, Hwang-Seo,Lee, Sangyoub Korean Chemical Society 2008 Bulletin of the Korean Chemical Society Vol.29 No.2
As a computational method for the discovery of the effective agonists for PPARd, we address the usefulness of molecular dynamics free energy (MDFE) simulation with explicit solvent in terms of the accuracy and the computing cost. For this purpose, we establish an efficient computational protocol of thermodynamic integration (TI) that is superior to free energy perturbation (FEP) method in parallel computing environment. Using this protocol, the relative binding affinities of GW501516 and its derivatives for PPARd are calculated. The accuracy of our protocol was evaluated in two steps. First, we devise a thermodynamic cycle to calculate the absolute and relative hydration free energies of test molecules. This allows a self-consistent check for the accuracy of the calculation protocol. Second, the calculated relative binding affinities of the selected ligands are compared with experimental IC50 values. The average deviation of the calculated binding free energies from the experimental results amounts at the most to 1 kcal/mol. The computational efficiency of current protocol is also assessed by comparing its execution times with those of the sequential version of the TI protocol. The results show that the calculation can be accelerated by 4 times when compared to the sequential run. Based on the calculations with the parallel computational protocol, a new potential agonist of GW501516 derivative is proposed.
A Nonlinear Theory for the Lotka-Volterra Model with an External lnput
Mino Yang,Sangyoub Lee,Seong Keun Kim,Kook Joe Shin,Moon Hee Ryu,Song Hi Lee,Dong J. Lee Korean Chemical Society 1992 Bulletin of the Korean Chemical Society Vol.13 No.5
A new perturbation theory called the star expansion method is used to obtain an approximate nonlinear solution of the Lotka-Volterra model under the influence of some kinds of external input. The effects of nonlinearity, amplitude and frequency of the external input on the chemical oscillations in the model are evaluated by taking specific values for the model parameters, and the results are discussed in detail.
Yang Mino,Lee Sangyoub,Shin, Kook Joe,Choo Kwang Yul,Lee Duckhwan Korean Chemical Society 1992 Bulletin of the Korean Chemical Society Vol.13 No.3
By using the general theoretical framework proposed recently for treating the fluorescence quenching kinetics, we investigate the effect of light pulse intensity on the decay of fluorescence which follows excitation of fluorophors by the light pulse of very short but finite duration. It is seen that conventional theory breaks down when the exciting light pulse has a pulse width comparable to the fluorescent lifetime and its intensity is very high. We also find that even when the light intensity is not too high, conventional theory may fail in either of the following cases: (i) when the quencher concentration is high, (ii) when there is an attractive potential of mean force between the fluorophor and quencher, or (iii) when the energy transfer from the fluorophor to the quencher may also occur at a distance, e.g., via dipole-dipole interaction. The validity of the predictions of the present theory may thus be tested by fluorescence quenching experiments performed under such situations.
A Study on the Capital Area's Urban Type Analysis and Real Estate Characteristics
Jeong, Moonoh,Lee, Sangyoub Korea Institute of Construction Engineering and Ma 2012 Journal of construction engineering and project ma Vol.2 No.4
In recent times, multi-centralization and decentralization as well as large Capital area and suburbanization in the spatial structure of capital area. With rapid growth, urbanization and industrialization are unsystematic, and growth inequality between regions caused negative effects such as discordant centralization and decentralization, fluctuating land value, and gap between living conditions. Accordingly, this study analyzed urban spatial indexes by the self-governed body in the capital area such as Seoul, Incheon, and Gyeonggi province for the analysis of the regional inequality phenomenon. We examined the characteristics of temporal and spatial changes in urban spatial structure in the capital area by utilizing the distribution pattern and density of city indexes such as population, employment, etc, and then drew the commonality of those factors through factor analysis. We evaluated the drawn results through the city standard index by each city, conducted factor score analysis, and identified the interaction between each factor and Housing Purchase Price Composite Indices index, housing rent price index(Housing Jeonse Price Composite Indices), land price fluctuation rate, diffusion ratio of house, and financial independence.