期刊文献+

二次检索

题名
关键词
文摘
作者
第一作者
机构
刊名
分类号
参考文献
作者简介
基金资助
栏目信息
共找到37篇文章
< 1 2 >
每页显示 20 50 100
无刷直流电动机电枢反应对转矩脉动的影响与分析 被引量:3
1
作者 秦虎 周醒夫 +1 位作者 何金泽 张赛男 《微特电机》 北大核心 2014年第5期17-19,29,共4页
采用简化等效磁路图,分析了无刷直流电动机电枢反应作用在永磁体两端面的磁动势影响,进而分析了"三相星接六状态"运行的无刷直流电动机电枢反应磁动势对转子永磁体产生增磁和去磁作用的特征和过程。在此基础上,考虑电动机在... 采用简化等效磁路图,分析了无刷直流电动机电枢反应作用在永磁体两端面的磁动势影响,进而分析了"三相星接六状态"运行的无刷直流电动机电枢反应磁动势对转子永磁体产生增磁和去磁作用的特征和过程。在此基础上,考虑电动机在负载情况下,通过永磁体工作曲线图,求出工作气隙内由电枢反应作用的磁通变化数值。以一台8槽、18极无刷直流电动机为例,采用上述方法,分析并计算了电枢反应引起的转矩脉动百分比,为无刷直流电动机结构设计和抑制转矩脉动提供了可靠的理论依据。 展开更多
关键词 无刷直流电动机 六状态运行 电枢反应磁动 气隙磁通 永磁体工作图
下载PDF
P_(538)萃取Co(Ⅱ)的热化学研究 被引量:1
2
作者 于秀芳 《青岛化工学院学报(自然科学版)》 2001年第1期53-54,共2页
用滴定微量量热仪测定了 P538煤油液在 2 5℃时从硫酸钠介质中萃取 Co( )过程的热功率 -时间曲线 ,得到了该萃取体系的反应热 ,结合文献的工作 ,计算出了不同温度下的萃取平衡常数及有关的热力学函数。
关键词 滴定微量量热仪 P538 萃取 钴离子 反应势 热力学函数
下载PDF
Theoretical Study on Mechanism of Cycloadditional Reaction Between Dichloro-Germylidene and Formaldehyde
3
作者 卢秀慧 李永庆 +2 位作者 徐曰华 韩军锋 时乐义 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2010年第3期287-292,I0001,共7页
Mechanism of the cycloadditional formaldehyde has been investigated reaction between singlet with MP2/6-31G^* method, dichloro-germylidene and including geometry optimization, vibrational analysis and energies for t... Mechanism of the cycloadditional formaldehyde has been investigated reaction between singlet with MP2/6-31G^* method, dichloro-germylidene and including geometry optimization, vibrational analysis and energies for the involved stationary points on the potential energy surface. From the potential energy profile, we predict that the cyeloaddition reaction between singlet dichloro-germylidene and formaldehyde has two competitive dominant reaction pathways, going with the formation of two side products (INT3 and INT4), simultaneously. Both of the two competitive reactions consist of two steps, two reactants firstly form a three-membered ring intermediate INT1 and a twisted four-membered ring intermediate INT2, respectively, both of which are barrier-free exothermic reactions of 41.5 and 72.3 kJ/mol; then INT1 isomerizes to a four-membered ring product P1 via transition state TS1, and INT2 isomerizes to a chlorine-traasfer product P2 via transition state TS2, with the barriers of 2.9 and 0.3 kJ/mol, respectively. Simultaneously, P1 and INT2 further react with formaldehyde to form INT3 and INT4, respectively, which are also barrier-free exothermic reaction of 74.9 and 88.1 kJ/mol. 展开更多
关键词 Dichloro-germylidene Cycloadditional reaction Potential energy surface
下载PDF
Ab initio Study of Mechanism of Forming Germanic Bis-Heterocyclic Compound Between Dichloro-Germylene Carbene (Cl2Ge=C:) and Formaldehyde
4
作者 卢秀慧 车昕 +1 位作者 廉贞霞 李永庆 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2010年第4期402-408,I0001,共8页
The mechanism of the cycloaddition reaction of forming germanic bis-heterocyclic compound between singlet dichloro-germylene carbene and formaldehyde has been investigated with CCSD(T)//MP2/6-31G^* method, from the... The mechanism of the cycloaddition reaction of forming germanic bis-heterocyclic compound between singlet dichloro-germylene carbene and formaldehyde has been investigated with CCSD(T)//MP2/6-31G^* method, from the potential energy profile, we predict that the reaction has two competitive dominant reaction pathways. The presented rule of this reaction: the 2p unoccupied orbital of the C atom in dichloro-germylene carbene insert the π orbital of formaldehyde from oxygen side, resulting in the formation of intermediate. In the intermediate and between two reactants, because of the two bonding π orbital in dichloro-germylene carbene and formaldehyde have occurred [2+2] cycloaddition reaction, forming two four- membered ring compounds in which Ge and O are in the opposite orientation and in the syn-position, respectively. Because of the unsaturated property of C atom from carbene in the two four-membered ring compounds, they further reacts with formaldehyde, resulting in the generation of two germanic bis-heterocyclic compounds. 展开更多
关键词 Dichloro-germylene carbene Reaction mechanism Potential energy surface
下载PDF
Ab initio Study on Mechanism of Forming a Silicic Bis-Heterocyclic Compound Between Dimethylmethylenesilylene and Ethene
5
作者 卢秀慧 韩军锋 +1 位作者 于海彬 廉贞霞 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2010年第5期533-537,621,共6页
The mechanism of the cycloaddition reaction of forming a silicic bis-heterocyclic compound between singlet dimethylmethylenesilylene (Me2C=Si:) and ethene has been investigated with the CCSD(T)//MP2/6-31G* metho... The mechanism of the cycloaddition reaction of forming a silicic bis-heterocyclic compound between singlet dimethylmethylenesilylene (Me2C=Si:) and ethene has been investigated with the CCSD(T)//MP2/6-31G* method. From the potential energy profile, it can be predicted that, this reaction has one dominant channel. The presented rule of this dominant channel: the 3p unoccupied orbital of Si in dimethylmethylenesilylene and the π orbital of ethene forming the π→p donor-acceptor bond, resulting in the formation of three-membered ring intermediate (INT1); INT1 then isomerizes to a four-membered ring silylene (P2), which is driven by ring-enlargement effect; due to sp3 hybridization of Si atom in P2, P2 further combines with ethene to form a silicic bis-heterocyclic compound. 展开更多
关键词 Dimethylmethylenesilylene Reaction mechanism Potential energy surface
下载PDF
Density Functional Theory Study of Mechanism of Cycloaddition Reaction Between Dimethyl-Silylene Carbene and Acetone
6
作者 卢秀慧 向萍萍 +2 位作者 时乐义 韩军锋 廉贞霞 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2010年第2期169-174,I0001,共7页
The mechanism of the cycloaddition reaction between singlet dimethyl-silylene carbene and acetone has been investigated with density functional theory, From the potential energy profile, it can be predicted that the r... The mechanism of the cycloaddition reaction between singlet dimethyl-silylene carbene and acetone has been investigated with density functional theory, From the potential energy profile, it can be predicted that the reaction has two competitive dominant reaction pathways. The presented rule of this reaction: the [2+2] cycloaddition effect between the πorbital of dimethyl-silylene carbene and the π orbital of π-bonded compounds leads to the formation of a twisty four-membered ring intermediate and a planar four-membered ring product; The unsaturated property of C atom from carbene in the planar four-membered ring product,resulting in the generation of CH3-transfer product and silicic bis-heterocyclic compound. 展开更多
关键词 Dimethyl-silylene carbene Reaction mechanism Potential energy surface
下载PDF
DFT Study of Mechanism of Extraction Reaction Between Germylene Carbene (H2Ge=C:) and Its Derivatives and Ethylene Oxide
7
作者 卢秀慧 车昕 +1 位作者 李永庆 王智娜 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2011年第3期311-314,I0003,共5页
The mechanism of the oxide extraction reaction between singlet germylene carbene and its derivatives X2Ge=C: (X=H, F, Cl, CH3) and ethylene oxide has been investigated with B3LYP/6-311G(d,p) method. The results s... The mechanism of the oxide extraction reaction between singlet germylene carbene and its derivatives X2Ge=C: (X=H, F, Cl, CH3) and ethylene oxide has been investigated with B3LYP/6-311G(d,p) method. The results show that this kind of reaction has similar mechanism, the shift of 2p lone electron pair of O in ethylene oxide to the 2p unoccupied orbital of C in X2Ge=C: gives a p→p donor-acceptor bond, thereby leading to the formation of intermediate. As the p→p donor-acceptor bond continues to strengthen, that is the C-O bond continues to shorten, the intermediate generates product (P+C2H4) via transition state. It is the substituent electronegativity that mainly affect the extraction reactions. When the substituent electronegativity is greater, the energy barrier is lower, and the reaction rate is greater. 展开更多
关键词 Germylene carbene Extraction reaction Ethylene oxide Potential energy surface
下载PDF
ANALYTICAL SOLUTIONS FOR A MODE Ⅲ CRACK IN PIEZOELECTRIC MATERIALS
8
作者 高存法 樊蔚勋 《Transactions of Nanjing University of Aeronautics and Astronautics》 EI 1999年第1期70-74,共5页
A mode Ⅲ crack problem in a transversely isotropic piezoelectric material subjected to uniform loads at infinity is studied based on exact boundary conditions. The complex potential approach is used to reduce the pro... A mode Ⅲ crack problem in a transversely isotropic piezoelectric material subjected to uniform loads at infinity is studied based on exact boundary conditions. The complex potential approach is used to reduce the problem to Hilbert problem. As a result, closed form field solutions in the piezoelectric material and inside the crack are presented. It is shown that the stresses and electric displacement have square root singularities at the crack tips, but the electric field is uniform everywhere in the material and equal to the remote applied one. It is also found that the electric displacement intensity factor depends on both material properties and the mechanical loads, but not the electric loads. Hence it may be concluded that the electric loads have no influence on the field singularities. 展开更多
关键词 piezoelectric materials cracks intensity factors anti plane strain complex potential
下载PDF
Quantum Dynamics Study on D+OD+ Reaction: Competition between Exchange and Abstraction Channels
9
作者 许文武 张佩宇 何国钟 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2013年第1期73-76,I0004,共5页
Quantum dynamics for the D+OD+ reaction at the collision energy range of 0.0-1.0 eV was studied on an accurate ab initio potential energy surface. Both of the endothermic abstraction (D+OD+-→O++D2) and thermo... Quantum dynamics for the D+OD+ reaction at the collision energy range of 0.0-1.0 eV was studied on an accurate ab initio potential energy surface. Both of the endothermic abstraction (D+OD+-→O++D2) and thermoneutral exchange (D+OD+--*D+OD+) channels were investigated from the same set of time-dependent quantum wave packets method under cen- trifugal sudden approximation. The reaction probability dependence with collision energy, the integral cross sections, and the thermal rate constant of the both channels are calculated. It is found that there is a convex structure in the reaction path of the exchange reaction. The calculated time evolution of the wave packet distribution at J=0 clearly indicates that the convex structure significantly influences the dynamics of the exchange and abstraction channels of title reaction. 展开更多
关键词 Time-dependent quantum wave packet method Potential energy surface D+OD+ reaction
下载PDF
Quantum Dynamics of Oxyhydrogen Complex-Forming Reactions for the HO2 and HO3 Systems
10
作者 Jun-xiang Zuo Xi-xi Hu Dai-qian Xie 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2018年第2期123-134,245,共13页
Complex-forming reactions widely exist in gas-phase chemical reactions. Various complexforming bimolecular reactions have been investigated and interesting phenomena have been discovered. The complex-forming reactions... Complex-forming reactions widely exist in gas-phase chemical reactions. Various complexforming bimolecular reactions have been investigated and interesting phenomena have been discovered. The complex-forming reactions usually have small or no barrier in the entrance channel, which leads to obvious differences in kinetic and dynamic characteristics compared with direct reactions. Theoretically, quantum state-resolved reaction dynamics can provide the most detailed microscopic dynamic mechanisms and is now feasible for a direct reaction with only one potential barrier. However, it is of great challenge to construct accurate potential energy surfaces and perform accurate quantum dynamics calculations for a complex polyatomic reaction involving deep potential wells and multi-channels. This paper reviews the most recent progress in two prototypical oxyhydrogen complex-forming reaction systems, HO2 and HO3, which are significant in combustion, atmospheric, and interstellar chemistry. We will present a brief survey of both computational and experimental work and emphasize on some unsolved problems existing in these systems. 展开更多
关键词 Complex-forming reaction Potential energy surface Reaction kinetics Quan-turn dynamics
下载PDF
Time-dependent Wave Packet Quantum Scattering Study of Reaction S(3p)+H2→HS+H on a New ab initio Potential Energy Surface 3A’ 被引量:2
11
作者 Shuang-jiang Lv Pei-yu Zhang Guo-zhong He 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2012年第3期291-296,373,共7页
A new potential energy surface is presented for the triplet state 3At of the chemical reaction S(3P)+H2 from a set of accurate ab initio data. The single point energies are computed using highly correlated complete... A new potential energy surface is presented for the triplet state 3At of the chemical reaction S(3P)+H2 from a set of accurate ab initio data. The single point energies are computed using highly correlated complete active space self-consistent-field and multi-reference configuration interaction wave functions with a basis set of aug-cc-pV5Z. We have fitted the full set of energy values using many-body expansion method with an Aguado-Paniagua function. Based on the new potential energy surface, we carry out the time-dependent wave packet scattering calculations over the collision energy range of 0.8-2.2 eV. Both the centrifugalsudden approximation and Coriolis Coupling cross sections are obtained. In addition, the total reaction probabilities are calculated for the reactant H2 initially in the vibrational states v=0-3 (j=0). It is found that initial vibrational excitation enhances the title reaction. 展开更多
关键词 Potential energy surface Quantum-scattering Time-dependent wave packet
下载PDF
Ring Polymer Molecular Dynamics of the C(^(1)D)+H_(2) Reaction on the Most Recent Potential Energy Surfaces
12
作者 Jianwei Cao Yanan Wu Wensheng Bian 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2021年第6期833-842,I0003,I0004,共12页
Ring polymer molecular dynamics(RPMD)calculations for the C(^(1)D)+H_(2)reaction are performed on the Zhang-Ma-Bian ab initio potential energy surfaces(PESs)recently constructed by our group,which are unique in very g... Ring polymer molecular dynamics(RPMD)calculations for the C(^(1)D)+H_(2)reaction are performed on the Zhang-Ma-Bian ab initio potential energy surfaces(PESs)recently constructed by our group,which are unique in very good descriptions of the regions around conical intersections and of van der Waals(vdW)interactions.The calculated reaction thermal rate coefficients are in very good agreement with the latest experimental results.The rate coefficients obtained from the ground˜a^(1)A′ZMB-a PES are much larger than those from the previous RKHS PES,which can be attributed to that the vdW saddles on our PESs have very different dynamical effects from the vdW wells on the previous PESs,indicating that the RPMD approach is able to include dynamical effects of the topological structures caused by vdW interactions.The importance of the excited˜b^(1)A′′ZMB-b PES and quantum effects in the title reaction is also underscored. 展开更多
关键词 Rate coefficients Ring polymer molecular dynamics Complex-forming reactions Potential energy surfaces van der Waals interactions
下载PDF
21世纪的能源──核聚变能
13
作者 王晓凤 《邢台师范高专学报》 2001年第2期58-59,共2页
氢弹爆炸成功,表明轻核聚变可释放出巨大的能量。自然界中氘氚存量十分丰富。一旦可控热核反应实现,人类将获得可持续发展的最理想的清洁而又无限的新能源。
关键词 核聚变 能源 前景展望 21世纪 核聚变能 原子能 可控反应
下载PDF
van der Waals Interactions in Bimolecular Reactions
14
作者 Jian-wei Cao Feng-yi Li +1 位作者 Wen-sha Xia Wen-sheng Bian 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2019年第2期157-166,I0002,共11页
The van der Waals (vdW) interaction is very important in fields of physics, biology and chemistry, and its role in reaction dynamics is an issue of great interest. In this review, we focus on the recent progresses in ... The van der Waals (vdW) interaction is very important in fields of physics, biology and chemistry, and its role in reaction dynamics is an issue of great interest. In this review, we focus on the recent progresses in the theoretical and experimental studies on the vdW interaction in bimolecular reactions. In particular, we review those studies that have advanced our understanding of how the vdW interaction can strongly influence the dynamics in both direct activated and complex-forming reactions, and further extend the discussion to the polyatomic reactions involving more atoms and those occurring at cold and ultracold temperatures. We indicate that an accurate description of the delicate vdW structure and long-range potential remains a challenge nowadays in either ab initio calculations or the fitting of the potential energy surfaces. We also present an explanation on the concept of vdW saddle proposed by us recently which may have general importance. 展开更多
关键词 van der Waals interaction Complex-forming reactions Reaction mechanisms Ultracold chemical reactions Ab initio potential energy surfaces
下载PDF
Changes in balance ability,power output,and stretch-shortening cycle utilisation after two high-intensity intermittent training protocols in endurance runners
15
作者 Felipe García-Pinillos Juan A.Párraga-Montilla +1 位作者 Víctor M.Soto-Hermoso Pedro A.Latorre-Román 《Journal of Sport and Health Science》 SCIE 2016年第4期430-436,共7页
Purpose:This study aimed to describe the acute effects of 2 different high-intensity intermittent trainings(HIITs) on postural control,countermovement jump(CMJ),squat jump(SJ),and stretch-shortening cycle(SSC... Purpose:This study aimed to describe the acute effects of 2 different high-intensity intermittent trainings(HIITs) on postural control,countermovement jump(CMJ),squat jump(SJ),and stretch-shortening cycle(SSC) utilisation,and to compare the changes induced by both protocols in those variables in endurance runners.Methods:Eighteen recreationally trained endurance runners participated in this study and were tested on 2 occasions:10 runs of 400 m with 90 s recovery between running bouts(10×400 m),and 40 runs of 100 m with 30 s recovery between runs(40 × 100 m).Heart rate was monitored during both HIITs;blood lactate accumulation and rate of perceived exertion were recorded after both protocols.Vertical jump ability(CMJ and SJ) and SSC together with postural control were also controlled during both HIITs.Results:Repeated measures analysis revealed a significan improvement in CMJ and SJ during 10 × 400 m(p〈0.05),whilst no significan changes were observed during 40×100 m.Indexes related to SSC did not experience significan changes during any of the protocols.As for postural control,no significan changes were observed in the 40×100 m protocol,whilst significan impairments were observed during the 10×400 m protocol(p〈0.05).Conclusion:A protocol with a higher number of shorter runs(40×100 m) induced different changes in those neuromuscular parameters than those with fewer and longer runs(10×400 m).Whereas the 40×100 m protocol did not cause any significan changes in vertical jump ability,postural control or SSC utilisation,the 10×400 m protocol impaired postural control and caused improvements in vertical jumping tests. 展开更多
关键词 Long-distance runner Postural control Reactive strength Training prescription Vertical jump
下载PDF
Reaction Mechanism and Product Branching Ratios of OH+C2H3F Reaction:A Theoretical Study
16
作者 Chih-Hao Chin Tong Zhu John Zeng-Hui Zhang 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2020年第2期203-209,I0003,共8页
Ab initio CCSD(T)/CBS//B3LYP/6-311G(d,p)calculations of the potential energy surface for possible dissociation channels of HOC2H3F,as well as Rice-Ramsperger-Kassel-Marcus(RRKM)calculations of rate constants,were carr... Ab initio CCSD(T)/CBS//B3LYP/6-311G(d,p)calculations of the potential energy surface for possible dissociation channels of HOC2H3F,as well as Rice-Ramsperger-Kassel-Marcus(RRKM)calculations of rate constants,were carried out,in order to predict statistical product branching ratios in dissociation of HOC2H3F at various internal energies.The most favorable reaction pathway leading to the major CH2CHO+HF products is as the following:OH+C2H3F→i2→TS14→i6→TS9→i3→TS3→CH2CHO+HF,where the rate-determining step is HF elimination from the CO bridging position via TS11,lying above the reactants by 3.8 kcal/mol.The CH2O+CH2F products can be formed by F atom migration from Cαto Cβposition via TS14,then H migration from O to Cαposition via TS16,and C-C breaking to form the products via TS5,which is 1.8 kcal/mol lower in energy than the reactants,and 4.0 kcal/mol lower than TS11. 展开更多
关键词 Ab initio Potential energy surface Reaction mechanism Rice-Ramsperger-Kassel-Marcus Branching ratio
下载PDF
On the Coupling of φ Meson to Nucleons and Backward φ Production
17
作者 MawuademKokuAmedeker LIQing-Feng 《Communications in Theoretical Physics》 SCIE CAS CSCD 2005年第3期493-496,共4页
Some analyses of the electromagnetic form factors of the nucleon and some analyses of the nucleon-nucleon potential favor a large coupling of the φ meson to nucleons. This is frequently quoted by advocates of a large... Some analyses of the electromagnetic form factors of the nucleon and some analyses of the nucleon-nucleon potential favor a large coupling of the φ meson to nucleons. This is frequently quoted by advocates of a large ss component of the nucleon. It is shown that such large OZI-violating couplings are incompatible with data on φproduction in backward direction via nucleon exchange. 展开更多
关键词 backward reaction phi-production coupling constants
下载PDF
Time-Dependent Quantum Wave Packet Calculation for Reaction S-(^(2)P)+H_(2)(^(1)∑_(g)^(+))→SH-(^(1)∑)+H(^(2)S) on Ab Initio Potential Energy Surface
18
作者 Hong-yu Ma Cheng-yuan Zhang +2 位作者 Yu-zhi Song Feng-cai Ma Yong-qing Li 《Chinese Journal of Chemical Physics》 SCIE EI CAS CSCD 2022年第2期338-344,I0003,共8页
The time-dependent wave packet propagation method was applied to investigate the dynamic behaviours of the reaction S-(^(2)P)+H_(2)(^(1)∑_(g)^(+))→SH-(^(1)∑)+H(^(2)S)based on the electronic ground state(^(2)A′)pot... The time-dependent wave packet propagation method was applied to investigate the dynamic behaviours of the reaction S-(^(2)P)+H_(2)(^(1)∑_(g)^(+))→SH-(^(1)∑)+H(^(2)S)based on the electronic ground state(^(2)A′)potential energy surface of the SH_(2)-ionic molecule.The collision energy dependent reaction probabilities and integral cross sections are obtained.The numerical results suggest that there are significant oscillation structures over all the studied range of the collision energies.The vibrational excitation and rotational excitation of the diatomic reagent H_(2) promote the reactivity significantly as suggested by the numerical total reaction probabilities with the initial rotational quantum number of j=0,2,4,6,8,10,and the vibrational quantum number v=0,1,2,3,4.The numerical integral cross sections are quite consistent with the experimental data reported in previous work. 展开更多
关键词 Potential energy surface Time-dependent wave packet Reaction probability Integral cross section
下载PDF
Determination Multipole Mixing Ratios and Transition Strengths of Gamma Rays from Level Studies of 93Mo (p, nγ) Reaction
19
作者 Mayyada M. Hamarashid 《Journal of Physical Science and Application》 2012年第7期253-257,共5页
The multipole mixing ratios have been calculated by a2-ratio method, from levels of 93Mo(p, nγ) reaction. The branching ratios of such γ-transitions are used to calculate the total gamma widths. Besides, the trans... The multipole mixing ratios have been calculated by a2-ratio method, from levels of 93Mo(p, nγ) reaction. The branching ratios of such γ-transitions are used to calculate the total gamma widths. Besides, the transition strengths and probabilities have been calculated for γ-transitions from excited states whose life times have been reported previously. The results are found to be in general in good agreement with the previous results populated from the previous work. 展开更多
关键词 Moltipole mixing ratio mean lifetime gamma widths transitions strength transitions probabilities.
下载PDF
Stochastic Thermodynamics of Mesoscopic Electrochemical Reactions
20
作者 肖铁军 周匀 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2018年第1期61-65,I0001,共6页
In this work, we discussed the stochastic thermodynamics of mesoscopic electron transfer reactions between ions and electrodes. With a relationship between the reaction rate con- stant and the electrode potential, we ... In this work, we discussed the stochastic thermodynamics of mesoscopic electron transfer reactions between ions and electrodes. With a relationship between the reaction rate con- stant and the electrode potential, we find that the heat dissipation βq equals to the dynamic irreversibility of the reaction system minus an internal entropy change term. The total en- tropy change Ast is defined as the summation of the system entropy change As and the heat dissipation/βq such that △st=△s+βq. Even though the heat dissipation depends linearly on the electrode potential, the total entropy change is found to satisfy the fluctuation theo- rem 〈e-△st 〉=1, and hence a second law-like inequality reads (△st)≥0. Our study provides a practical methodology for the stochastic thermodynamics of electrochemical reactions, which may find applications in biochemical and electrochemical reaction systems. 展开更多
关键词 Mesoscopic chemical reaction Electron transfer Electrode potential Entropyproduction Fluctuation theorem
下载PDF
上一页 1 2 下一页 到第
使用帮助 返回顶部